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CAS 39928-09-1 Diethyl Chloromethylphosphate molecular structure lightbox
CAS RN: 39928-09-1

Diethyl Chloromethylphosphate

  • Product code: SSC-147751
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 39928-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 4 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry

39928-09-1 / chloromethyl diethyl phosphate

Standard CAS: 39928-09-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39928-09-1
Multi CAS
No
Molecular Formula
C5H12CLO4P
Molecular Weight
202.570000
Exact Mass
202.016174
InChI
InChI=1S/C5H12ClO4P/c1-3-8-11(7,9-4-2)10-5-6/h3-5H2,1-2H3
InChIKey
FWAXWNOGOQKLTC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
42.66
TPSA
44.76

LogP / Solubility

WLOGP
2.38
MLOGP
2.1
XLogP3
1.1
Consensus LogP
1.86
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble

ADME

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)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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