3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester
TL;DR: 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester (CAS 16132-20-0) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester, methyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, 2,4-Dimethyl-5-(methoxycarbonyl)-1H-pyrrole-3-propanoic acid methyl ester, 1H-Pyrrole-3-propanoic acid, 5-(methoxycarbonyl)-2,4-dimethyl-, methyl ester, RefChem:271901
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 16132-20-0 |
|---|---|
| SMILES | CC1=C(NC(=C1CCC(=O)OC)C)C(=O)OC |
| InChIKey | WEGDXGRLFJSUCA-UHFFFAOYSA-N |
Product Overview
3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester (CAS 16132-20-0), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: methyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester
Property Insights of 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester. Following Lipinski's Rule of Five, 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester has 1 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 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester?
The CAS number of 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester is 16132-20-0.
What is the molecular formula of 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester?
The molecular formula of 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester is C12H17NO4.
What is the molecular weight of 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester?
The molecular weight of 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester is 239.12 g/mol.
Where can I buy 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester?
You can request a quote for 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.