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CAS 6319-96-6 N-Chloroacetylglycine molecular structure lightbox
CAS RN: 6319-96-6

N-Chloroacetylglycine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260517 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: ICTC0980
  • Purity/Analytical Methods: >99.0%(T)
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6319-96-6 / 2-[(2-chloroacetyl)amino]acetic acid

Standard CAS: 6319-96-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6319-96-6
Multi CAS
Yes
Molecular Formula
C4H6CLNO3
Molecular Weight
151.550000
Exact Mass
151.003621
InChI
InChI=1S/C4H6ClNO3/c5-1-3(7)6-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChIKey
DLDTUYIGYMNERN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
31.37
TPSA
66.4

LogP / Solubility

WLOGP
-0.57
MLOGP
-0.51
XLogP3
0.9
Consensus LogP
-0.06
Log S (ESOL)
-0.22
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.05

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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