1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester
TL;DR: 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester (CAS 162151-91-9) 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.
dimethyl 2-benzyl-5-methyl-1H-pyrrole-3,4-dicarboxylate
Also Known As: Pyrrole-3,4-diCOOH analog, dimethyl 2-benzyl-5-methyl-1H-pyrrole-3,4-dicarboxylate, 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester, 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester, 2-Benzyl-5-methyl-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 162151-91-9 |
|---|---|
| SMILES | CC1=C(C(=C(N1)CC2=CC=CC=C2)C(=O)OC)C(=O)OC |
| InChIKey | YRKGGDPFMAFKFB-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester (CAS 162151-91-9), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: dimethyl 2-benzyl-5-methyl-1H-pyrrole-3,4-dicarboxylate.
Chemical Property Profile of 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester
Property Insights of 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester. Following Lipinski's Rule of Five, 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, 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 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester?
The CAS number of 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester is 162151-91-9.
What is the molecular formula of 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester?
The molecular formula of 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester is C16H17NO4.
What is the molecular weight of 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester?
The molecular weight of 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester is 287.12 g/mol.
Where can I buy 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester?
You can request a quote for 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl 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-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3,4-dicarboxylic acid, 2-methyl-5-(phenylmethyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.