α-乙酰基-4-氯苯乙腈
TL;DR: α-乙酰基-4-氯苯乙腈 (CAS 5219-07-8) is a chemical compound with molecular formula C10H8ClNO and molecular weight 193.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-乙酰基-4-氯苯乙腈
2-(4-chlorophenyl)-3-oxobutanenitrile
Also Known As: 2-(4-chlorophenyl)-3-oxobutanenitrile, 4,6'-Oxydiphenol, USAF EL-43, p-Chlorophenylacetoacetonitrile, 2-(4-Chlorophenyl)-3-oxobutyronitrile
| Molecular Formula | C10H8ClNO |
|---|---|
| Molecular Weight | 193.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.02943 |
| Heavy Atoms | 13 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 5219-07-8 |
|---|---|
| SMILES | CC(=O)C(C#N)C1=CC=C(C=C1)Cl |
| InChIKey | IPBZEJZUAZXNOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-乙酰基-4-氯苯乙腈 (CAS 5219-07-8), with molecular formula C10H8ClNO and molecular weight 193.03 g/mol. IUPAC: 2-(4-chlorophenyl)-3-oxobutanenitrile.
Chemical Property Profile of α-乙酰基-4-氯苯乙腈
Property Insights of α-乙酰基-4-氯苯乙腈
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-乙酰基-4-氯苯乙腈. With a topological polar surface area (TPSA) of 40.9 Ų, α-乙酰基-4-氯苯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-乙酰基-4-氯苯乙腈 has 0 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 α-乙酰基-4-氯苯乙腈?
The CAS number of α-乙酰基-4-氯苯乙腈 is 5219-07-8.
What is the molecular formula of α-乙酰基-4-氯苯乙腈?
The molecular formula of α-乙酰基-4-氯苯乙腈 is C10H8ClNO.
What is the molecular weight of α-乙酰基-4-氯苯乙腈?
The molecular weight of α-乙酰基-4-氯苯乙腈 is 193.03 g/mol.
Where can I buy α-乙酰基-4-氯苯乙腈?
You can request a quote for α-乙酰基-4-氯苯乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-乙酰基-4-氯苯乙腈?
Yes, KEHONG BIO provides custom synthesis services for α-乙酰基-4-氯苯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.