1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)-
TL;DR: 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)- (CAS 25472-62-2) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methoxycarbonyl-1H-pyrrol-2-yl)acetic acid
Also Known As: 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)-, 2-(3-methoxycarbonyl-1H-pyrrol-2-yl)acetic acid, 2-carboxymethyl-pyrrole-3-carboxylic acid methyl ester, [3-(METHOXYCARBONYL)-1H-PYRROL-2-YL]ACETIC ACID
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 25472-62-2 |
|---|---|
| SMILES | COC(=O)C1=C(NC=C1)CC(=O)O |
| InChIKey | NOJLDMZUWCXOMP-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)- (CAS 25472-62-2), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: 2-(3-methoxycarbonyl-1H-pyrrol-2-yl)acetic acid.
Chemical Property Profile of 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)-
Property Insights of 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)-. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)-. Following Lipinski's Rule of Five, 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)- has 2 hydrogen bond donor(s) and 4 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-2-aceticacid, 3-(methoxycarbonyl)-?
The CAS number of 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)- is 25472-62-2.
What is the molecular formula of 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)-?
The molecular formula of 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)- is C8H9NO4.
What is the molecular weight of 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)-?
The molecular weight of 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)- is 183.05 g/mol.
Where can I buy 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)-?
You can request a quote for 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-aceticacid, 3-(methoxycarbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.