3-(4-Bromoanilino)propionitrile
TL;DR: 3-(4-Bromoanilino)propionitrile (CAS 98948-13-1) is a chemical compound with molecular formula C9H9BrN2 and molecular weight 223.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromoanilino)propanenitrile
Also Known As: 3-(4-bromoanilino)propanenitrile, 3-(4-BROMOANILINO)PROPIONITRILE, 3-((4-Bromophenyl)amino)propanenitrile, 3-[(4-bromophenyl)amino]propanenitrile, AB01320098-02
| Molecular Formula | C9H9BrN2 |
|---|---|
| Molecular Weight | 223.99 g/mol |
| LogP | 2.77468 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.9949 |
| Heavy Atoms | 12 |
| Complexity | 273.57516 |
Chemical Identifiers
| CAS Number | 98948-13-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NCCC#N)Br |
Product Overview
3-(4-Bromoanilino)propionitrile (CAS 98948-13-1), with molecular formula C9H9BrN2 and molecular weight 223.99 g/mol. IUPAC: 3-(4-bromoanilino)propanenitrile.
Chemical Property Profile of 3-(4-Bromoanilino)propionitrile
Property Insights of 3-(4-Bromoanilino)propionitrile
The XLogP value of 2.77468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromoanilino)propionitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 3-(4-Bromoanilino)propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromoanilino)propionitrile has 1 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-(4-Bromoanilino)propionitrile?
The CAS number of 3-(4-Bromoanilino)propionitrile is 98948-13-1.
What is the molecular formula of 3-(4-Bromoanilino)propionitrile?
The molecular formula of 3-(4-Bromoanilino)propionitrile is C9H9BrN2.
What is the molecular weight of 3-(4-Bromoanilino)propionitrile?
The molecular weight of 3-(4-Bromoanilino)propionitrile is 223.99 g/mol.
Where can I buy 3-(4-Bromoanilino)propionitrile?
You can request a quote for 3-(4-Bromoanilino)propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromoanilino)propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromoanilino)propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.