![[(4-氯苯基)氨基]乙腈 structure](/static/products/2488/24889-92-7.webp)
[(4-氯苯基)氨基]乙腈
TL;DR: [(4-氯苯基)氨基]乙腈 (CAS 24889-92-7) is a chemical compound with molecular formula C8H7ClN2 and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-氯苯基)氨基]乙腈
2-(4-chloroanilino)acetonitrile
Also Known As: 2-[(4-chlorophenyl)amino]acetonitrile, [(4-chlorophenyl)amino]acetonitrile, 2-(4-chloroanilino)acetonitrile, p-chloroaniline-acetonitrile, p-chloroanilino-acetonitrile
| Molecular Formula | C8H7ClN2 |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.02977 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 24889-92-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NCC#N)Cl |
| InChIKey | VTYDEWDXIBGHMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(4-氯苯基)氨基]乙腈 (CAS 24889-92-7), with molecular formula C8H7ClN2 and molecular weight 166.03 g/mol. IUPAC: 2-(4-chloroanilino)acetonitrile.
Chemical Property Profile of [(4-氯苯基)氨基]乙腈
Property Insights of [(4-氯苯基)氨基]乙腈
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-氯苯基)氨基]乙腈. With a topological polar surface area (TPSA) of 35.8 Ų, [(4-氯苯基)氨基]乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(4-氯苯基)氨基]乙腈 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 [(4-氯苯基)氨基]乙腈?
The CAS number of [(4-氯苯基)氨基]乙腈 is 24889-92-7.
What is the molecular formula of [(4-氯苯基)氨基]乙腈?
The molecular formula of [(4-氯苯基)氨基]乙腈 is C8H7ClN2.
What is the molecular weight of [(4-氯苯基)氨基]乙腈?
The molecular weight of [(4-氯苯基)氨基]乙腈 is 166.03 g/mol.
Where can I buy [(4-氯苯基)氨基]乙腈?
You can request a quote for [(4-氯苯基)氨基]乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4-氯苯基)氨基]乙腈?
Yes, KEHONG BIO provides custom synthesis services for [(4-氯苯基)氨基]乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.