1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl-
TL;DR: 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl- (CAS 42779-96-4) 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-[4-[3-(carboxymethyl)-2,5-dimethylpyrrol-1-yl]phenyl]acetic acid
Also Known As: 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl-, 1-(4-(Carboxymethyl)phenyl)-2,5-dimethyl-1H-pyrrole-3-acetic acid, {4-[3-(Carboxymethyl)-2,5-dimethyl-1H-pyrrol-1-yl]phenyl}acetic acid, 2-[4-[3-(carboxymethyl)-2,5-dimethylpyrrol-1-yl]phenyl]acetic acid, BRN 0422926
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 2.34834 |
| Topological Polar Surface Area | 79.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 683.04767 |
Chemical Identifiers
| CAS Number | 42779-96-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)CC(=O)O)C)CC(=O)O |
Product Overview
1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl- (CAS 42779-96-4), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: 2-[4-[3-(carboxymethyl)-2,5-dimethylpyrrol-1-yl]phenyl]acetic acid.
Chemical Property Profile of 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl-
Property Insights of 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl-
The XLogP value of 2.34834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl-. The TPSA of 79.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl-. Following Lipinski's Rule of Five, 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl- has 2 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-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl-?
The CAS number of 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl- is 42779-96-4.
What is the molecular formula of 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl-?
The molecular formula of 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl- is C16H17NO4.
What is the molecular weight of 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl-?
The molecular weight of 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl- is 287.12 g/mol.
Where can I buy 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl-?
You can request a quote for 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl- 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-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.