Home Cart 0 Sign in  
X

[ CAS No. 35856-62-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 35856-62-3
Chemical Structure| 35856-62-3
Chemical Structure| 35856-62-3
Structure of 35856-62-3 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 35856-62-3 ]

Related Doc. of [ 35856-62-3 ]

Alternatived Products of [ 35856-62-3 ]

Product Details of [ 35856-62-3 ]

CAS No. :35856-62-3 MDL No. :MFCD03250329
Formula : C5H10ClNO2S Boiling Point : -
Linear Structure Formula :- InChI Key :QQJYAXDCMMXECR-UHFFFAOYSA-N
M.W : 183.66 Pubchem ID :11298344
Synonyms :

Calculated chemistry of [ 35856-62-3 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.61
TPSA : 45.76 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.61 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.94
Log Po/w (XLOGP3) : 1.14
Log Po/w (WLOGP) : 1.66
Log Po/w (MLOGP) : 0.7
Log Po/w (SILICOS-IT) : 0.46
Consensus Log Po/w : 1.18

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.63
Solubility : 4.3 mg/ml ; 0.0234 mol/l
Class : Very soluble
Log S (Ali) : -1.7
Solubility : 3.71 mg/ml ; 0.0202 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.15
Solubility : 13.1 mg/ml ; 0.0714 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.0

Safety of [ 35856-62-3 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310 UN#:3265
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 35856-62-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 35856-62-3 ]
  • Downstream synthetic route of [ 35856-62-3 ]

[ 35856-62-3 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 110-89-4 ]
  • [ 35856-62-3 ]
YieldReaction ConditionsOperation in experiment
70% With sulfuryl dichloride; triethylamine In dichloromethane at 0 - 20℃; for 2 h; Example 1: Piperidine-l-sulfonyl chloride To a solution of sulfurylchloride (238 g, 1.76 moles) in dichloromethane (500 ml), a mixture of piperidine (100 g, 1.17 moles) and triethylamine (178 g, 1.76 moles) in dichloromethane (500 ml) was added at 0 °C - 5 °C. The reaction mass was warmed to room temperature, stirred for 2 hours, and quenched in ice cold water. After washing with water (2 x 5 volumes), the organic layer was separated organic layer. The reaction mass was dried over sodium sulfate and solvent evaporated off to obtain oily residue (151.3g, 70percent yield). The FontWeight="Bold" FontSize="10" H NMR spectra of the resulting solid was obtained to reveal the following spectral peaks: FontWeight="Bold" FontSize="10" H NMR (300 MHz, CDC13) δ =1.58-1.62(m, 2H), 1.69- 1.83(m, 4H), 3.31-3.42(m, 4H)
46% With sulfuryl dichloride In diethyl ether at -78 - 20℃; for 3 h; To 0.95mL (11. 7mmol) of sulfuryl chloride in 20 mL ether was added dropwise 2.3mL (23. 4mmol) of piperidine at-78° C. The reaction was stirred at rt for 3hrs. The insoluble solid was removed by filtration and the filtrate was washed with 1 N HCI, sat NaHCO3 and brine. The organic layer was dried over MgS04, filtered and the filtrate was concentrated to dryness to give 1. 00g of 10004b. yield 46percent
Reference: [1] Patent: WO2015/83066, 2015, A1, . Location in patent: Page/Page column 11-12
[2] Journal of Fluorine Chemistry, 1982, vol. 20, p. 425 - 438
[3] Patent: WO2005/87721, 2005, A2, . Location in patent: Page/Page column 81-82
[4] Archiv der Pharmazie (Weinheim, Germany), 1958, vol. 291, p. 7,11
[5] Bulletin de la Societe Chimique de France, 1936, vol. <5> 3, p. 2143,2146, 2149, 2150
[6] Archiv der Pharmazie (Weinheim, Germany), 1958, vol. 291, p. 7,11
[7] Bulletin de la Societe Chimique de France, 1936, vol. <5> 3, p. 2143,2146, 2149, 2150
[8] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1984, # 3, p. 499 - 502
[9] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 13, p. 3367 - 3370
[10] Patent: WO2009/151152, 2009, A1, . Location in patent: Page/Page column 89
  • 2
  • [ 110-89-4 ]
  • [ 35856-62-3 ]
  • [ 6091-44-7 ]
Reference: [1] Journal of the American Chemical Society, 2013, vol. 135, # 29, p. 10638 - 10641
  • 3
  • [ 6091-44-7 ]
  • [ 35856-62-3 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 1997, vol. 7, # 24, p. 3075 - 3080
  • 4
  • [ 110-85-0 ]
  • [ 35856-62-3 ]
Reference: [1] Patent: US6372778, 2002, B1, . Location in patent: Example 150
  • 5
  • [ 2156-71-0 ]
  • [ 35856-62-3 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1959, vol. 624, p. 25,29
  • 6
  • [ 110-89-4 ]
  • [ 16475-29-9 ]
  • [ 35856-62-3 ]
Reference: [1] Bulletin de la Societe Chimique de France, 1936, vol. <5> 3, p. 2143,2146, 2149, 2150
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 35856-62-3 ]

Sulfonyl Chlorides

Chemical Structure| 33581-96-3

[ 33581-96-3 ]

4-Methylpiperazine-1-sulfonyl chloride hydrochloride

Similarity: 0.72

Chemical Structure| 1828-66-6

[ 1828-66-6 ]

Morpholine-4-sulfonyl chloride

Similarity: 0.67

Chlorides

Chemical Structure| 33581-96-3

[ 33581-96-3 ]

4-Methylpiperazine-1-sulfonyl chloride hydrochloride

Similarity: 0.72

Chemical Structure| 1828-66-6

[ 1828-66-6 ]

Morpholine-4-sulfonyl chloride

Similarity: 0.67

Sulfamides

Chemical Structure| 33581-96-3

[ 33581-96-3 ]

4-Methylpiperazine-1-sulfonyl chloride hydrochloride

Similarity: 0.72

Chemical Structure| 1828-66-6

[ 1828-66-6 ]

Morpholine-4-sulfonyl chloride

Similarity: 0.67

Chemical Structure| 651057-01-1

[ 651057-01-1 ]

1-(Methylsulfonyl)piperidin-4-amine hydrochloride

Similarity: 0.60

Chemical Structure| 402927-97-3

[ 402927-97-3 ]

4-Amino-1-(methylsulfonyl)piperidine

Similarity: 0.58

Chemical Structure| 70724-74-2

[ 70724-74-2 ]

N-Methyl-N-(piperidin-4-yl)methanesulfonamide

Similarity: 0.56

Related Parent Nucleus of
[ 35856-62-3 ]

Piperidines

Chemical Structure| 651057-01-1

[ 651057-01-1 ]

1-(Methylsulfonyl)piperidin-4-amine hydrochloride

Similarity: 0.60

Chemical Structure| 402927-97-3

[ 402927-97-3 ]

4-Amino-1-(methylsulfonyl)piperidine

Similarity: 0.58

Chemical Structure| 70724-74-2

[ 70724-74-2 ]

N-Methyl-N-(piperidin-4-yl)methanesulfonamide

Similarity: 0.56

Chemical Structure| 1185092-86-7

[ 1185092-86-7 ]

N-(Piperidin-4-ylmethyl)methanesulfonamide hydrochloride

Similarity: 0.56

Chemical Structure| 934107-80-9

[ 934107-80-9 ]

1-Methanesulfonylpiperidin-3-ylamine

Similarity: 0.55