![2-[1-(4-氯苯基)亚乙基]丙二腈 structure](/static/products/3131/31317-42-7.webp)
2-[1-(4-氯苯基)亚乙基]丙二腈
TL;DR: 2-[1-(4-氯苯基)亚乙基]丙二腈 (CAS 31317-42-7) is a chemical compound with molecular formula C11H7ClN2 and molecular weight 202.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-氯苯基)亚乙基]丙二腈
2-[1-(4-chlorophenyl)ethylidene]propanedinitrile
Also Known As: 2-[1-(4-chlorophenyl)ethylidene]malononitrile, Maybridge1_004532, 2-[1-(4-chlorophenyl)ethylidene]propanedinitrile, 2-(1-(4-Chlorophenyl)ethylidene)malononitrile, KST-1A3700
| Molecular Formula | C11H7ClN2 |
|---|---|
| Molecular Weight | 202.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.02977 |
| Heavy Atoms | 14 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 31317-42-7 |
|---|---|
| SMILES | CC(=C(C#N)C#N)C1=CC=C(C=C1)Cl |
| InChIKey | WJXJNOHGXBNAIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[1-(4-氯苯基)亚乙基]丙二腈 (CAS 31317-42-7), with molecular formula C11H7ClN2 and molecular weight 202.03 g/mol. IUPAC: 2-[1-(4-chlorophenyl)ethylidene]propanedinitrile.
Chemical Property Profile of 2-[1-(4-氯苯基)亚乙基]丙二腈
Property Insights of 2-[1-(4-氯苯基)亚乙基]丙二腈
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-(4-氯苯基)亚乙基]丙二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 2-[1-(4-氯苯基)亚乙基]丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1-(4-氯苯基)亚乙基]丙二腈 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 2-[1-(4-氯苯基)亚乙基]丙二腈?
The CAS number of 2-[1-(4-氯苯基)亚乙基]丙二腈 is 31317-42-7.
What is the molecular formula of 2-[1-(4-氯苯基)亚乙基]丙二腈?
The molecular formula of 2-[1-(4-氯苯基)亚乙基]丙二腈 is C11H7ClN2.
What is the molecular weight of 2-[1-(4-氯苯基)亚乙基]丙二腈?
The molecular weight of 2-[1-(4-氯苯基)亚乙基]丙二腈 is 202.03 g/mol.
Where can I buy 2-[1-(4-氯苯基)亚乙基]丙二腈?
You can request a quote for 2-[1-(4-氯苯基)亚乙基]丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(4-氯苯基)亚乙基]丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(4-氯苯基)亚乙基]丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.