1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester
TL;DR: 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester (CAS 954-92-7) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3,4-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: Benzyl 3,4-dimethyl-1H-pyrrole-2-carboxylate, benzyl-3,4-dimethylpyrrol-5-carboxylate, 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester, 3,4-Dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester, RefChem:240512
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 2.98854 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 514.27344 |
Chemical Identifiers
| CAS Number | 954-92-7 |
|---|---|
| SMILES | CC1=CNC(=C1C)C(=O)OCC2=CC=CC=C2 |
Product Overview
1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester (CAS 954-92-7), with molecular formula C14H15NO2 and molecular weight 229.11 g/mol. IUPAC: benzyl 3,4-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester
Property Insights of 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester
The XLogP value of 2.98854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester. With a topological polar surface area (TPSA) of 42.09 Ų, 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester has 1 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-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester?
The CAS number of 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester is 954-92-7.
What is the molecular formula of 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester?
The molecular formula of 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester is C14H15NO2.
What is the molecular weight of 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester?
The molecular weight of 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester is 229.11 g/mol.
Where can I buy 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester?
You can request a quote for 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl 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-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.