3,5-dimethyl-1H-pyrrole-2-carboxylic acid
TL;DR: 3,5-dimethyl-1H-pyrrole-2-carboxylic acid (CAS 451445-35-5) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1H-pyrrole-2-carboxylic acid
Also Known As: 3,5-dimethyl-1H-pyrrole-2-carboxylic acid, 3,5-Dimethylpyrrole-2-carboxylic acid, ChemDiv2_003220, 1H-PYRROLE-2-CARBOXYLIC ACID, 3,5-DIMETHYL-, 3,5-Dimethyl-1H-pyrrole-2- carboxylic acid
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 1.32974 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 262.56985 |
Chemical Identifiers
| CAS Number | 451445-35-5 |
|---|---|
| SMILES | CC1=CC(=C(N1)C(=O)O)C |
Product Overview
3,5-dimethyl-1H-pyrrole-2-carboxylic acid (CAS 451445-35-5), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: 3,5-dimethyl-1H-pyrrole-2-carboxylic acid.
Chemical Property Profile of 3,5-dimethyl-1H-pyrrole-2-carboxylic acid
Property Insights of 3,5-dimethyl-1H-pyrrole-2-carboxylic acid
The XLogP value of 1.32974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dimethyl-1H-pyrrole-2-carboxylic acid. With a topological polar surface area (TPSA) of 53.09 Ų, 3,5-dimethyl-1H-pyrrole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-dimethyl-1H-pyrrole-2-carboxylic acid has 2 hydrogen bond donor(s) and 1 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-1H-pyrrole-2-carboxylic acid?
The CAS number of 3,5-dimethyl-1H-pyrrole-2-carboxylic acid is 451445-35-5.
What is the molecular formula of 3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The molecular formula of 3,5-dimethyl-1H-pyrrole-2-carboxylic acid is C7H9NO2.
What is the molecular weight of 3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The molecular weight of 3,5-dimethyl-1H-pyrrole-2-carboxylic acid is 139.06 g/mol.
Where can I buy 3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
You can request a quote for 3,5-dimethyl-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-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethyl-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.