![CAS 2231665-53-3 (S)-2-Amino-2-(bicyclo[1.1.1]pentan-1-yl)acetic acid hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2231665-53-3.gif)
CAS RN: 2231665-53-3
(S)-2-Amino-2-(bicyclo[1.1.1]pentan-1-yl)acetic acid hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251122 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2231665-53-3
- Purity/Analytical Methods: >99.0%
2231665-53-3 / (2S)-2-amino-2-(1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride
Basic Information
CAS
2231665-53-3
Multi CAS
No
Molecular Formula
C7H12ClNO2
Molecular Weight
177.630000
Exact Mass
177.055656
SMILES
C1C2CC1(C2)[C@@H](C(=O)O)N.Cl
InChI
InChI=1S/C7H11NO2.ClH/c8-5(6(9)10)7-1-4(2-7)3-7;/h4-5H,1-3,8H2,(H,9,10);1H/t4?,5-,7?;/m1./s1
InChIKey
LVHNFOMBHNFIKI-ZYMCGYGWSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.63
TPSA
63.32
LogP / Solubility
WLOGP
0.62
MLOGP
0.54
XLogP3
0.62
Consensus LogP
0.59
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 2231666-14-9 (1S,4S)-2-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2231666-14-9.gif)
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