4-氯亚苄基丙二腈
TL;DR: 4-氯亚苄基丙二腈 (CAS 1867-38-5) is a chemical compound with molecular formula C10H5ClN2 and molecular weight 188.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯亚苄基丙二腈
2-[(4-chlorophenyl)methylidene]propanedinitrile
Also Known As: 4-Chlorobenzylidenemalononitrile, 2-(4-Chlorobenzylidene)malononitrile, 4-Chlorobenzalmalononitrile, 4-Chlor-benzal-malonitril, 2-[(4-chlorophenyl)methylidene]propanedinitrile
| Molecular Formula | C10H5ClN2 |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.01413 |
| Heavy Atoms | 13 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 1867-38-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C#N)Cl |
| InChIKey | FQSXBLOWLYPURG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯亚苄基丙二腈 (CAS 1867-38-5), with molecular formula C10H5ClN2 and molecular weight 188.01 g/mol. IUPAC: 2-[(4-chlorophenyl)methylidene]propanedinitrile.
Chemical Property Profile of 4-氯亚苄基丙二腈
Property Insights of 4-氯亚苄基丙二腈
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯亚苄基丙二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 4-氯亚苄基丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯亚苄基丙二腈 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 4-氯亚苄基丙二腈?
The CAS number of 4-氯亚苄基丙二腈 is 1867-38-5.
What is the molecular formula of 4-氯亚苄基丙二腈?
The molecular formula of 4-氯亚苄基丙二腈 is C10H5ClN2.
What is the molecular weight of 4-氯亚苄基丙二腈?
The molecular weight of 4-氯亚苄基丙二腈 is 188.01 g/mol.
Where can I buy 4-氯亚苄基丙二腈?
You can request a quote for 4-氯亚苄基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯亚苄基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 4-氯亚苄基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.