2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester
TL;DR: 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester (CAS 4030-28-8) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester, ethyl 5-hydroxy-2,4-dimethyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 4030-28-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)O)C |
| InChIKey | JNQZBAQUMFAVOI-UHFFFAOYSA-N |
Product Overview
2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester (CAS 4030-28-8), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: ethyl 5-hydroxy-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester
Property Insights of 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester has 2 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 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester?
The CAS number of 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester is 4030-28-8.
What is the molecular formula of 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester?
The molecular formula of 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester is C9H13NO3.
What is the molecular weight of 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester?
The molecular weight of 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester is 183.09 g/mol.
Where can I buy 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester?
You can request a quote for 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-5-hydroxy-1H-pyrrol-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.