Pyrrole-3,4-diCOOH analog
TL;DR: Pyrrole-3,4-diCOOH analog (CAS 121409-68-5) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-benzyl-1-ethyl-5-methylpyrrole-3,4-dicarboxylate
Also Known As: Pyrrole-3,4-diCOOH analog, 1H-Pyrrole-3,4-dicarboxylic acid, 1-ethyl-2-methyl-5-(phenylmethyl)-, dimethyl ester, dimethyl 2-benzyl-1-ethyl-5-methylpyrrole-3,4-dicarboxylate, dimethyl 2-benzyl-1-ethyl-5-methyl-pyrrole-3,4-dicarboxylate, 1H-Pyrrole-3,4-dicarboxylicacid, 1-ethyl-2-methyl-5-(phenylmethyl)-, 3,4-dimethyl ester
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 121409-68-5 |
|---|---|
| SMILES | CCN1C(=C(C(=C1CC2=CC=CC=C2)C(=O)OC)C(=O)OC)C |
| InChIKey | CXTDYHPBVWCVAI-UHFFFAOYSA-N |
Product Overview
Pyrrole-3,4-diCOOH analog (CAS 121409-68-5), with molecular formula C18H21NO4 and molecular weight 315.15 g/mol. IUPAC: dimethyl 2-benzyl-1-ethyl-5-methylpyrrole-3,4-dicarboxylate.
Chemical Property Profile of Pyrrole-3,4-diCOOH analog
Property Insights of Pyrrole-3,4-diCOOH analog
The XLogP value of 3.0 indicates that Pyrrole-3,4-diCOOH analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Pyrrole-3,4-diCOOH analog exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrole-3,4-diCOOH analog has 0 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 Pyrrole-3,4-diCOOH analog?
The CAS number of Pyrrole-3,4-diCOOH analog is 121409-68-5.
What is the molecular formula of Pyrrole-3,4-diCOOH analog?
The molecular formula of Pyrrole-3,4-diCOOH analog is C18H21NO4.
What is the molecular weight of Pyrrole-3,4-diCOOH analog?
The molecular weight of Pyrrole-3,4-diCOOH analog is 315.15 g/mol.
Where can I buy Pyrrole-3,4-diCOOH analog?
You can request a quote for Pyrrole-3,4-diCOOH analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrole-3,4-diCOOH analog?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole-3,4-diCOOH analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.