4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile
TL;DR: 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile (CAS 883291-39-2) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-2-pyrrol-1-ylbenzonitrile
Also Known As: 4,5-dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile, ZERO/005482, 4,5-Dimethoxy-2-pyrrol-1-yl-benzonitrile, 4,5-dimethoxy-2-pyrrol-1-ylbenzonitrile, 4,5-dimethoxy-2-pyrrolylbenzenecarbonitrile
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.36618 |
| Topological Polar Surface Area | 47.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 553.5387 |
Chemical Identifiers
| CAS Number | 883291-39-2 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C#N)N2C=CC=C2)OC |
Product Overview
4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile (CAS 883291-39-2), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 4,5-dimethoxy-2-pyrrol-1-ylbenzonitrile.
Chemical Property Profile of 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile
Property Insights of 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile
The XLogP value of 2.36618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 47.18 Ų, 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile has 0 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 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile?
The CAS number of 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile is 883291-39-2.
What is the molecular formula of 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile?
The molecular formula of 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile is C13H12N2O2.
What is the molecular weight of 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile?
The molecular weight of 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile is 228.09 g/mol.
Where can I buy 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile?
You can request a quote for 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethoxy-2-(1H-pyrrol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.