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CAS 40856-87-9 N-(2-chloroethyl)-N-carbamoylprolinamide molecular structure lightbox
CAS RN: 40856-87-9

N-(2-chloroethyl)-N-carbamoylprolinamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260216 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS40856-87-9
  • Purity/Analytical Methods: >99.0%
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40856-87-9 / (7aS)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

Standard CAS: 40856-87-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40856-87-9
Multi CAS
Yes
Molecular Formula
C6H8N2O2
Molecular Weight
140.140000
Exact Mass
140.058578
InChI
InChI=1S/C6H8N2O2/c9-5-4-2-1-3-8(4)6(10)7-5/h4H,1-3H2,(H,7,9,10)/t4-/m0/s1
InChIKey
CLHGAFMJSNFVRM-BYPYZUCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.27
TPSA
49.41

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.27
XLogP3
-0.3
Consensus LogP
-0.29
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.32
Class (SILICOS-IT)
Very 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)
-3.79

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
2

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