亚苄基丙二腈
TL;DR: 亚苄基丙二腈 (CAS 2700-22-3) is a chemical compound with molecular formula C10H6N2 and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚苄基丙二腈
2-benzylidenepropanedinitrile
Also Known As: 2-Benzylidenemalononitrile, Benzylidenemalononitrile, Benzalmalononitrile, Benzal-malonitril, Benzylidenemalonodinitrile
| Molecular Formula | C10H6N2 |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.0531 |
| Heavy Atoms | 12 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 2700-22-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C(C#N)C#N |
| InChIKey | WAVNYPVYNSIHNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亚苄基丙二腈 (CAS 2700-22-3), with molecular formula C10H6N2 and molecular weight 154.05 g/mol. IUPAC: 2-benzylidenepropanedinitrile.
Chemical Property Profile of 亚苄基丙二腈
Property Insights of 亚苄基丙二腈
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 亚苄基丙二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 亚苄基丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 亚苄基丙二腈?
The CAS number of 亚苄基丙二腈 is 2700-22-3.
What is the molecular formula of 亚苄基丙二腈?
The molecular formula of 亚苄基丙二腈 is C10H6N2.
What is the molecular weight of 亚苄基丙二腈?
The molecular weight of 亚苄基丙二腈 is 154.05 g/mol.
Where can I buy 亚苄基丙二腈?
You can request a quote for 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 亚苄基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 亚苄基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.