3-(4-Methoxyanilino)propanenitrile
TL;DR: 3-(4-Methoxyanilino)propanenitrile (CAS 33141-33-2) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyanilino)propanenitrile
Also Known As: 3-(4-methoxyanilino)propanenitrile, 3-(4-Methoxy-phenylamino)-propionitrile, Maybridge1_003919, 3-((4-Methoxyphenyl)amino)propanenitrile, 2,3-DICHLOROANILINE
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 2.02078 |
| Topological Polar Surface Area | 45.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 286.7882 |
Chemical Identifiers
| CAS Number | 33141-33-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCCC#N |
Product Overview
3-(4-Methoxyanilino)propanenitrile (CAS 33141-33-2), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: 3-(4-methoxyanilino)propanenitrile.
Chemical Property Profile of 3-(4-Methoxyanilino)propanenitrile
Property Insights of 3-(4-Methoxyanilino)propanenitrile
The XLogP value of 2.02078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxyanilino)propanenitrile. With a topological polar surface area (TPSA) of 45.05 Ų, 3-(4-Methoxyanilino)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxyanilino)propanenitrile 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 3-(4-Methoxyanilino)propanenitrile?
The CAS number of 3-(4-Methoxyanilino)propanenitrile is 33141-33-2.
What is the molecular formula of 3-(4-Methoxyanilino)propanenitrile?
The molecular formula of 3-(4-Methoxyanilino)propanenitrile is C10H12N2O.
What is the molecular weight of 3-(4-Methoxyanilino)propanenitrile?
The molecular weight of 3-(4-Methoxyanilino)propanenitrile is 176.09 g/mol.
Where can I buy 3-(4-Methoxyanilino)propanenitrile?
You can request a quote for 3-(4-Methoxyanilino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxyanilino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyanilino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.