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CAS 13627-28-6 Acetamide,2-chloro-N-(2-chloroethyl)- molecular structure lightbox
CAS RN: 13627-28-6

Acetamide,2-chloro-N-(2-chloroethyl)-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS13627-28-6
  • Purity/Analytical Methods: >99.0%
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13627-28-6 / 2-chloro-N-(2-chloroethyl)acetamide

Standard CAS: 13627-28-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13627-28-6
Multi CAS
No
Molecular Formula
C4H7Cl2NO
Molecular Weight
156.010000
Exact Mass
154.990469
SMILES
C(CCl)NC(=O)CCl
InChI
InChI=1S/C4H7Cl2NO/c5-1-2-7-4(8)3-6/h1-3H2,(H,7,8)
InChIKey
VZCOHGQSOLWBEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.45
TPSA
29.1

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
XLogP3
0.8
Consensus LogP
0.63
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
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)
-3.26

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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