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CAS 628-11-5 3-Chloropropyl Chloroformate molecular structure lightbox
CAS RN: 628-11-5

3-Chloropropyl Chloroformate

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250513 1g / 5X1g / 25X1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260119 1g Out of stock 8-10 business days Inquiry
  • Product code: ICTC1983
  • Purity/Analytical Methods: >95.0%(GC)
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628-11-5 / 3-chloropropyl carbonochloridate

Standard CAS: 628-11-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
628-11-5
Multi CAS
Yes
Molecular Formula
C4H6CL2O2
Molecular Weight
156.990000
Exact Mass
155.974485
InChI
InChI=1S/C4H6Cl2O2/c5-2-1-3-8-4(6)7/h1-3H2
InChIKey
MTXMEFUEBCFWCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
32.54
TPSA
26.3

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
2.1
Consensus LogP
1.95
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.26

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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