1H-Pyrrole-1-propanoic acid, methyl ester
TL;DR: 1H-Pyrrole-1-propanoic acid, methyl ester (CAS 99233-38-2) is a chemical compound with molecular formula C8H11NO2 and molecular weight 153.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-pyrrol-1-ylpropanoate
Also Known As: methyl 3-pyrrol-1-ylpropanoate, Namiki bbv-32465395, Methyl 3-(1H-pyrrol-1-yl)propanoate, 1H-Pyrrole-1-propanoic acid, methyl ester, Methyl 3-(1H-pyrrol-1-yl)propanoate #
| Molecular Formula | C8H11NO2 |
|---|---|
| Molecular Weight | 153.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 153.07898 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 99233-38-2 |
|---|---|
| SMILES | COC(=O)CCN1C=CC=C1 |
| InChIKey | PMQPGLUUFXDPFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrrole-1-propanoic acid, methyl ester (CAS 99233-38-2), with molecular formula C8H11NO2 and molecular weight 153.08 g/mol. IUPAC: methyl 3-pyrrol-1-ylpropanoate.
Chemical Property Profile of 1H-Pyrrole-1-propanoic acid, methyl ester
Property Insights of 1H-Pyrrole-1-propanoic acid, methyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-1-propanoic acid, methyl ester. With a topological polar surface area (TPSA) of 31.2 Ų, 1H-Pyrrole-1-propanoic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-1-propanoic acid, methyl ester has 0 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 1H-Pyrrole-1-propanoic acid, methyl ester?
The CAS number of 1H-Pyrrole-1-propanoic acid, methyl ester is 99233-38-2.
What is the molecular formula of 1H-Pyrrole-1-propanoic acid, methyl ester?
The molecular formula of 1H-Pyrrole-1-propanoic acid, methyl ester is C8H11NO2.
What is the molecular weight of 1H-Pyrrole-1-propanoic acid, methyl ester?
The molecular weight of 1H-Pyrrole-1-propanoic acid, methyl ester is 153.08 g/mol.
Where can I buy 1H-Pyrrole-1-propanoic acid, methyl ester?
You can request a quote for 1H-Pyrrole-1-propanoic 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 1H-Pyrrole-1-propanoic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-1-propanoic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.