(1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
TL;DR: (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid (CAS 501447-09-2) is a chemical compound with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
Also Known As: BAS 00498411, (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid, rac-(1R,3S)-3-(1H-1,3-benzodiazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
| Molecular Formula | C16H20N2O2 |
|---|---|
| Molecular Weight | 272.15 g/mol |
| LogP | 3.5574 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.15247 |
| Heavy Atoms | 20 |
| Complexity | 640.92163 |
Chemical Identifiers
| CAS Number | 501447-09-2 |
|---|---|
| SMILES | C[C@@]1(CC[C@H](C1(C)C)C2=NC3=CC=CC=C3N2)C(=O)O |
Product Overview
(1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid (CAS 501447-09-2), with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol. IUPAC: trans-(1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid.
Chemical Property Profile of (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
Property Insights of (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
The XLogP value of 3.5574 indicates that (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid. Following Lipinski's Rule of Five, (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The CAS number of (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid is 501447-09-2.
What is the molecular formula of (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The molecular formula of (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid is C16H20N2O2.
What is the molecular weight of (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The molecular weight of (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid is 272.15 g/mol.
Where can I buy (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
You can request a quote for (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1S,3R)-3-(1H-benzimidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.