![3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile structure](/static/products/7361/736146-05-7.webp)
3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile
TL;DR: 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile (CAS 736146-05-7) is a chemical compound with molecular formula C17H18N2O and molecular weight 266.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile
Also Known As: 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile, 3-[1-(3,4-Dimethyl-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxo-propionitrile, 3-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile
| Molecular Formula | C17H18N2O |
|---|---|
| Molecular Weight | 266.14 g/mol |
| LogP | 3.80736 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.1419 |
| Heavy Atoms | 20 |
| Complexity | 717.3217 |
Chemical Identifiers
| CAS Number | 736146-05-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CC#N)C)C |
Product Overview
3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile (CAS 736146-05-7), with molecular formula C17H18N2O and molecular weight 266.14 g/mol. IUPAC: 3-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile.
Chemical Property Profile of 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile
Property Insights of 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile
The XLogP value of 3.80736 indicates that 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile has 0 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 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile?
The CAS number of 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile is 736146-05-7.
What is the molecular formula of 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile?
The molecular formula of 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile is C17H18N2O.
What is the molecular weight of 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile?
The molecular weight of 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile is 266.14 g/mol.
Where can I buy 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile?
You can request a quote for 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.