CAS RN: 1690142-32-5
(2R)‐2‐amino‐2‐cycloheptylacetic 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.20260601 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1690142-32-5
- Purity/Analytical Methods: >99.0%
1690142-32-5 / (2R)-2-amino-2-cycloheptylacetic acid
Basic Information
CAS
1690142-32-5
Multi CAS
No
Molecular Formula
C9H17NO2
Molecular Weight
171.240000
Exact Mass
171.125929
SMILES
C1CCCC(CC1)[C@H](C(=O)O)N
InChI
InChI=1S/C9H17NO2/c10-8(9(11)12)7-5-3-1-2-4-6-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m1/s1
InChIKey
GMLQOIMQMLOTNY-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.8
TPSA
63.32
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
-0.5
Consensus LogP
0.69
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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