CAS RN: 716362-29-7
2‐carbamoylcyclopropane‐1‐carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250109 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS716362-29-7
- Purity/Analytical Methods: >99.0%
716362-29-7 / 2-carbamoylcyclopropane-1-carboxylic acid
Basic Information
CAS
716362-29-7
Multi CAS
No
Molecular Formula
C5H7NO3
Molecular Weight
129.110000
Exact Mass
129.042593
InChI
InChI=1S/C5H7NO3/c6-4(7)2-1-3(2)5(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)
InChIKey
WYCFAOQMGVSOAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.43
TPSA
80.39
LogP / Solubility
WLOGP
-0.81
MLOGP
-0.72
XLogP3
-1.2
Consensus LogP
-0.91
Class (ESOL)
Highly soluble
Log S (Ali)
-0.04
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.07
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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