![3-[(4-氟苯基)氨基]丙腈 structure](/static/products/3801/380190-11-4.webp)
3-[(4-氟苯基)氨基]丙腈
TL;DR: 3-[(4-氟苯基)氨基]丙腈 (CAS 380190-11-4) is a chemical compound with molecular formula C9H9FN2 and molecular weight 164.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-氟苯基)氨基]丙腈
3-(4-fluoroanilino)propanenitrile
Also Known As: 3-(4-Fluoro-phenylamino)-propionitrile, 3-(4-fluoroanilino)propanenitrile, 3-[(4-fluorophenyl)amino]propanenitrile, 3-((4-Fluorophenyl)amino)propanenitrile, 3-(4-fluorophenyl)aminopropanenitrile
| Molecular Formula | C9H9FN2 |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.07498 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 380190-11-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NCCC#N)F |
| InChIKey | DIHLACQYYVISRW-UHFFFAOYSA-N |
Product Overview
3-[(4-氟苯基)氨基]丙腈 (CAS 380190-11-4), with molecular formula C9H9FN2 and molecular weight 164.07 g/mol. IUPAC: 3-(4-fluoroanilino)propanenitrile.
Chemical Property Profile of 3-[(4-氟苯基)氨基]丙腈
Property Insights of 3-[(4-氟苯基)氨基]丙腈
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-氟苯基)氨基]丙腈. With a topological polar surface area (TPSA) of 35.8 Ų, 3-[(4-氟苯基)氨基]丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-氟苯基)氨基]丙腈 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-氟苯基)氨基]丙腈?
The CAS number of 3-[(4-氟苯基)氨基]丙腈 is 380190-11-4.
What is the molecular formula of 3-[(4-氟苯基)氨基]丙腈?
The molecular formula of 3-[(4-氟苯基)氨基]丙腈 is C9H9FN2.
What is the molecular weight of 3-[(4-氟苯基)氨基]丙腈?
The molecular weight of 3-[(4-氟苯基)氨基]丙腈 is 164.07 g/mol.
Where can I buy 3-[(4-氟苯基)氨基]丙腈?
You can request a quote for 3-[(4-氟苯基)氨基]丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-氟苯基)氨基]丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-氟苯基)氨基]丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.