CAS RN: 756450-21-2
Cyclopentanecarboxylic acid, 2-amino-2-methyl-, (1R,2S)-rel- (9CI)
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.20250726 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS756450-21-2
- Purity/Analytical Methods: >99.0%
756450-21-2 / cis-(1R,2S)-2-amino-2-methylcyclopentane-1-carboxylic acid
Basic Information
CAS
756450-21-2
Multi CAS
Yes
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
InChI
InChI=1S/C7H13NO2/c1-7(8)4-2-3-5(7)6(9)10/h5H,2-4,8H2,1H3,(H,9,10)/t5-,7-/m0/s1
InChIKey
CHGRKLOXTORQLJ-FSPLSTOPSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.57
TPSA
63.32
LogP / Solubility
WLOGP
0.59
MLOGP
0.51
XLogP3
-1.8
Consensus LogP
-0.23
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.18
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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