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CAS 813-77-4 Dimethyl Chlorophosphate molecular structure lightbox
CAS RN: 813-77-4

Dimethyl Chlorophosphate

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250911 100g In stock Inquiry
Batchno.20250817 1g In stock Inquiry
Batchno.20251011 25g In stock Inquiry
Batchno.20250311 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250420 100g In stock Shandong, Hebei Inquiry
Batchno.20260116 1g In stock Chongqing Inquiry
Batchno.20250215 25g In stock Hebei Inquiry
Batchno.20250114 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: ICTD5601
  • Purity/Analytical Methods: >98.0%(GC)(T)
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813-77-4 / [chloro(methoxy)phosphoryl]oxymethane

Standard CAS: 813-77-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
813-77-4
Multi CAS
Yes
Molecular Formula
C2H6CLO3P
Molecular Weight
144.490000
Exact Mass
143.974309
InChI
InChI=1S/C2H6ClO3P/c1-5-7(3,4)6-2/h1-2H3
InChIKey
NGFFLHMFSINFGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
27.48
TPSA
35.53

LogP / Solubility

WLOGP
1.63
MLOGP
1.42
XLogP3
0.1
Consensus LogP
1.05
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-2.45

Drug-likeness / Medicinal Chemistry

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

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