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[ CAS No. 3747-74-8 ] {[proInfo.proName]}

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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+
Chemical Structure| 3747-74-8
Chemical Structure| 3747-74-8
Structure of 3747-74-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 3747-74-8 ]

CAS No. :3747-74-8 MDL No. :MFCD00012734
Formula : C10H9Cl2N Boiling Point : -
Linear Structure Formula :- InChI Key :WDETYCRYUBGKCE-UHFFFAOYSA-N
M.W : 214.09 Pubchem ID :3083823
Synonyms :

Calculated chemistry of [ 3747-74-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.1
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 58.47
TPSA : 12.89 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.18 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.42
Log Po/w (WLOGP) : 3.62
Log Po/w (MLOGP) : 2.72
Log Po/w (SILICOS-IT) : 3.43
Consensus Log Po/w : 2.64

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.83
Solubility : 0.032 mg/ml ; 0.00015 mol/l
Class : Soluble
Log S (Ali) : -3.37
Solubility : 0.0912 mg/ml ; 0.000426 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.72
Solubility : 0.00409 mg/ml ; 0.0000191 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.53

Safety of [ 3747-74-8 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P264-P270-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P362+P364-P405-P501 UN#:3261
Hazard Statements:H302+H312-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 3747-74-8 ]

* 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 [ 3747-74-8 ]
  • Downstream synthetic route of [ 3747-74-8 ]

[ 3747-74-8 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 3747-74-8 ]
  • [ 1780-17-2 ]
Reference: [1] Pharmazie, 1982, vol. 37, # 5, p. 344 - 349
[2] Pharmazie, 1982, vol. 37, # 5, p. 344 - 349
  • 2
  • [ 91-63-4 ]
  • [ 4032-52-4 ]
  • [ 3747-74-8 ]
Reference: [1] Organic Process Research and Development, 2001, vol. 5, # 1, p. 9 - 15
  • 3
  • [ 67-56-1 ]
  • [ 530-64-3 ]
  • [ 3747-74-8 ]
Reference: [1] Antimicrobial Agents and Chemotherapy, 2016, vol. 60, # 6, p. 3802 - 3812
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