2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester
TL;DR: 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester (CAS 111836-35-2) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate
Also Known As: methyl 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate, 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester, methyl 2-phenyl-1-pyrroline-5-carboxylate, J2.442.634C, 5-PHENYL-3,4-DIHYDRO-2H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.8111 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 383.8684 |
Chemical Identifiers
| CAS Number | 111836-35-2 |
|---|---|
| SMILES | COC(=O)C1CCC(=N1)C2=CC=CC=C2 |
Product Overview
2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester (CAS 111836-35-2), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: methyl 5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate.
Chemical Property Profile of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester
Property Insights of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester
The XLogP value of 1.8111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester. With a topological polar surface area (TPSA) of 38.66 Ų, 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, 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 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester?
The CAS number of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester is 111836-35-2.
What is the molecular formula of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester?
The molecular formula of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester is C12H13NO2.
What is the molecular weight of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester?
The molecular weight of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester is 203.09 g/mol.
Where can I buy 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester?
You can request a quote for 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.