1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)-
TL;DR: 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)- (CAS 162152-03-6) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1-ethyl-5-methylpyrrole-3,4-dicarboxylic acid
Also Known As: Pyrrole-3,4-diCOOH analog, 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)-, 2-benzyl-1-ethyl-5-methylpyrrole-3,4-dicarboxylic acid, 2-Benzyl-1-ethyl-5-methyl-1H-pyrrole-3,4-dicarboxylic acid, 2-BENZYL-1-ETHYL-5-METHYL-PYRROLE-3,4-DICARBOXYLIC ACID
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 162152-03-6 |
|---|---|
| SMILES | CCN1C(=C(C(=C1CC2=CC=CC=C2)C(=O)O)C(=O)O)C |
| InChIKey | VXEACWRQQKJMQE-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)- (CAS 162152-03-6), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: 2-benzyl-1-ethyl-5-methylpyrrole-3,4-dicarboxylic acid.
Chemical Property Profile of 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)-
Property Insights of 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)-. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)-. Following Lipinski's Rule of Five, 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)- 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-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)-?
The CAS number of 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)- is 162152-03-6.
What is the molecular formula of 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)-?
The molecular formula of 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)- is C16H17NO4.
What is the molecular weight of 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)-?
The molecular weight of 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)- is 287.12 g/mol.
Where can I buy 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)-?
You can request a quote for 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.