rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid
TL;DR: rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid (CAS 2059917-65-4) is a chemical compound with molecular formula C15H19NO2 and molecular weight 245.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,6aR)-2-benzyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
Also Known As: rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta[c]pyrrole-3a-carboxylic acid, (3aR,6aR)-2-benzyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid, rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta[c]pyrrole-3a-carboxylic acid, cis, rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid, 820-586-9
| Molecular Formula | C15H19NO2 |
|---|---|
| Molecular Weight | 245.14 g/mol |
| LogP | 2.3733 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.14159 |
| Heavy Atoms | 18 |
| Complexity | 445.06665 |
Chemical Identifiers
| CAS Number | 2059917-65-4 |
|---|---|
| SMILES | C1C[C@H]2CN(C[C@]2(C1)C(=O)O)CC3=CC=CC=C3 |
Product Overview
rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid (CAS 2059917-65-4), with molecular formula C15H19NO2 and molecular weight 245.14 g/mol. IUPAC: (3aR,6aR)-2-benzyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid.
Chemical Property Profile of rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid
Property Insights of rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid
The XLogP value of 2.3733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid. With a topological polar surface area (TPSA) of 40.54 Ų, rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid has 1 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 rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid?
The CAS number of rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid is 2059917-65-4.
What is the molecular formula of rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid?
The molecular formula of rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid is C15H19NO2.
What is the molecular weight of rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid?
The molecular weight of rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid is 245.14 g/mol.
Where can I buy rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid?
You can request a quote for rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for rac-(3aR,6aR)-2-benzyl-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.