1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
TL;DR: 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid (CAS 63812-15-7) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylic acid
Also Known As: 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid, 1,8-Octanediol, 2-Fluoroisobutyric acid, 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylic acid, 9875AE
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 3.30834 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 400.31024 |
Chemical Identifiers
| CAS Number | 63812-15-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C2CCCCC2)C)C(=O)O |
Product Overview
1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid (CAS 63812-15-7), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylic acid.
Chemical Property Profile of 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Property Insights of 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
The XLogP value of 3.30834 indicates that 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.23 Ų, 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid has 1 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 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
The CAS number of 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is 63812-15-7.
What is the molecular formula of 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
The molecular formula of 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is C13H19NO2.
What is the molecular weight of 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
The molecular weight of 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is 221.14 g/mol.
Where can I buy 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
You can request a quote for 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.