4-氰基亚苄基丙二腈
TL;DR: 4-氰基亚苄基丙二腈 (CAS 36937-92-5) is a chemical compound with molecular formula C11H5N3 and molecular weight 179.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氰基亚苄基丙二腈
2-[(4-cyanophenyl)methylidene]propanedinitrile
Also Known As: 2- malononitrile, 4-Cyanobenzylidenemalononitrile, Tyrphostin deriv. 10, MALONONITRILE, (p-CYANOBENZYLIDENE)-, 2-(4-Cyanobenzylidene)malononitrile
| Molecular Formula | C11H5N3 |
|---|---|
| Molecular Weight | 179.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.04834 |
| Heavy Atoms | 14 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 36937-92-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C#N)C#N |
| InChIKey | UUKLIKUNCGVVHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氰基亚苄基丙二腈 (CAS 36937-92-5), with molecular formula C11H5N3 and molecular weight 179.05 g/mol. IUPAC: 2-[(4-cyanophenyl)methylidene]propanedinitrile.
Chemical Property Profile of 4-氰基亚苄基丙二腈
Property Insights of 4-氰基亚苄基丙二腈
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氰基亚苄基丙二腈. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氰基亚苄基丙二腈. Following Lipinski's Rule of Five, 4-氰基亚苄基丙二腈 has 0 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 4-氰基亚苄基丙二腈?
The CAS number of 4-氰基亚苄基丙二腈 is 36937-92-5.
What is the molecular formula of 4-氰基亚苄基丙二腈?
The molecular formula of 4-氰基亚苄基丙二腈 is C11H5N3.
What is the molecular weight of 4-氰基亚苄基丙二腈?
The molecular weight of 4-氰基亚苄基丙二腈 is 179.05 g/mol.
Where can I buy 4-氰基亚苄基丙二腈?
You can request a quote for 4-氰基亚苄基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氰基亚苄基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 4-氰基亚苄基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.