3-(2-Methoxy-phenylamino)-propionitrile
TL;DR: 3-(2-Methoxy-phenylamino)-propionitrile (CAS 27472-15-7) 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-(2-methoxyanilino)propanenitrile
Also Known As: 3-(2-Methoxy-phenylamino)-propionitrile, Urapidil Impurity 33, 3-(2-methoxyanilino)propanenitrile, 3-((2-Methoxyphenyl)amino)propanenitrile, 3-[(2-methoxyphenyl)amino]propanenitrile
| 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 | 304.0382 |
Chemical Identifiers
| CAS Number | 27472-15-7 |
|---|---|
| SMILES | COC1=CC=CC=C1NCCC#N |
Product Overview
3-(2-Methoxy-phenylamino)-propionitrile (CAS 27472-15-7), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: 3-(2-methoxyanilino)propanenitrile.
Chemical Property Profile of 3-(2-Methoxy-phenylamino)-propionitrile
Property Insights of 3-(2-Methoxy-phenylamino)-propionitrile
The XLogP value of 2.02078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methoxy-phenylamino)-propionitrile. With a topological polar surface area (TPSA) of 45.05 Ų, 3-(2-Methoxy-phenylamino)-propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methoxy-phenylamino)-propionitrile 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-(2-Methoxy-phenylamino)-propionitrile?
The CAS number of 3-(2-Methoxy-phenylamino)-propionitrile is 27472-15-7.
What is the molecular formula of 3-(2-Methoxy-phenylamino)-propionitrile?
The molecular formula of 3-(2-Methoxy-phenylamino)-propionitrile is C10H12N2O.
What is the molecular weight of 3-(2-Methoxy-phenylamino)-propionitrile?
The molecular weight of 3-(2-Methoxy-phenylamino)-propionitrile is 176.09 g/mol.
Where can I buy 3-(2-Methoxy-phenylamino)-propionitrile?
You can request a quote for 3-(2-Methoxy-phenylamino)-propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methoxy-phenylamino)-propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methoxy-phenylamino)-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.