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[ CAS No. 1605-65-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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 1605-65-8
Chemical Structure| 1605-65-8
Chemical Structure| 1605-65-8
Structure of 1605-65-8 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 1605-65-8 ]

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Product Details of [ 1605-65-8 ]

CAS No. :1605-65-8 MDL No. :MFCD00008302
Formula : C4H12ClN2OP Boiling Point : -
Linear Structure Formula :- InChI Key :WYLQARGYFXBZMD-UHFFFAOYSA-N
M.W : 170.58 Pubchem ID :74150
Synonyms :

Calculated chemistry of [ 1605-65-8 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 40.59
TPSA : 33.36 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) : -7.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.04
Log Po/w (XLOGP3) : 0.11
Log Po/w (WLOGP) : 1.46
Log Po/w (MLOGP) : 0.42
Log Po/w (SILICOS-IT) : -1.1
Consensus Log Po/w : 0.59

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.83
Solubility : 24.9 mg/ml ; 0.146 mol/l
Class : Very soluble
Log S (Ali) : -0.37
Solubility : 73.5 mg/ml ; 0.431 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.73
Solubility : 31.8 mg/ml ; 0.186 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.34

Safety of [ 1605-65-8 ]

Signal Word:Danger Class:8
Precautionary Statements:P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501 UN#:3265
Hazard Statements:H290-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1605-65-8 ]

* 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 [ 1605-65-8 ]
  • Downstream synthetic route of [ 1605-65-8 ]

[ 1605-65-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 64991-65-7 ]
  • [ 1605-65-8 ]
  • [ 79-44-7 ]
Reference: [1] Canadian Journal of Chemistry, 1980, vol. 58, p. 946 - 952
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