3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid
TL;DR: 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid (CAS 94252-30-9) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid
Also Known As: 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid, 3,5-DIMETHYL-PYRROLE-2,4-DICARBOXYLIC ACID 4-BENZYL ESTER, 3,5-dimethyl-4-[benzyloxycarbonyl]pyrrole-2-carboxylic acid, 4-[(BENZYLOXY)CARBONYL]-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID, Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-benzyl ester (7CI)
| Molecular Formula | C15H15NO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.1001 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 94252-30-9 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C)C(=O)O |
| InChIKey | AODYUQBSEOJHTD-UHFFFAOYSA-N |
Product Overview
3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid (CAS 94252-30-9), with molecular formula C15H15NO4 and molecular weight 273.10 g/mol. IUPAC: 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid.
Chemical Property Profile of 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid
Property Insights of 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid. Following Lipinski's Rule of Five, 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid 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 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid?
The CAS number of 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid is 94252-30-9.
What is the molecular formula of 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid?
The molecular formula of 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid is C15H15NO4.
What is the molecular weight of 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid?
The molecular weight of 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid is 273.10 g/mol.
Where can I buy 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid?
You can request a quote for 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid 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-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.