![2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester structure](/static/products/1037/1037367-40-0.webp)
2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester
TL;DR: 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester (CAS 1037367-40-0) is a chemical compound with molecular formula C16H21NO2 and molecular weight 259.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-benzyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
Also Known As: starbld0020040, Methyl 2-benzylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxylate, 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester, methyl 2-benzyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate, methyl 2-benzyl-octahydrocyclopenta[c]pyrrole-3a-carboxylate
| Molecular Formula | C16H21NO2 |
|---|---|
| Molecular Weight | 259.16 g/mol |
| LogP | 2.4617 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.15723 |
| Heavy Atoms | 19 |
| Complexity | 459.07657 |
Chemical Identifiers
| CAS Number | 1037367-40-0 |
|---|---|
| SMILES | COC(=O)C12CCCC1CN(C2)CC3=CC=CC=C3 |
Product Overview
2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester (CAS 1037367-40-0), with molecular formula C16H21NO2 and molecular weight 259.16 g/mol. IUPAC: methyl 2-benzyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate.
Chemical Property Profile of 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester
Property Insights of 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester
The XLogP value of 2.4617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 29.54 Ų, 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester has 0 hydrogen bond donor(s) and 3 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 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester?
The CAS number of 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester is 1037367-40-0.
What is the molecular formula of 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester?
The molecular formula of 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester is C16H21NO2.
What is the molecular weight of 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester?
The molecular weight of 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester is 259.16 g/mol.
Where can I buy 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester?
You can request a quote for 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.