1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)-
TL;DR: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)- (CAS 42780-28-9) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
Also Known As: Cyclohexanon-azin, 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)-, 2,5-dimethyl-1-1h-pyrrole-3-aceticacid, 2,5-Dimethyl-1- -1H-pyrrole-3-aceticacid, 2,5-Dimethyl-1-(3-methoxyphenyl)-1H-pyrrole-3-acetic acid
| Molecular Formula | C15H17NO3 |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.12085 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 42780-28-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC=C2)OC)C)CC(=O)O |
| InChIKey | BMEJSSRLGVPEHW-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)- (CAS 42780-28-9), with molecular formula C15H17NO3 and molecular weight 259.12 g/mol. IUPAC: 2-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid.
Chemical Property Profile of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)-
Property Insights of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)-. With a topological polar surface area (TPSA) of 51.5 Ų, 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)- has 1 hydrogen bond donor(s) and 3 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, 2,5-dimethyl-1-(3-methoxyphenyl)-?
The CAS number of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)- is 42780-28-9.
What is the molecular formula of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)-?
The molecular formula of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)- is C15H17NO3.
What is the molecular weight of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)-?
The molecular weight of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)- is 259.12 g/mol.
Where can I buy 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)-?
You can request a quote for 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)- 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, 2,5-dimethyl-1-(3-methoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.