2-亚丙基丙二腈
TL;DR: 2-亚丙基丙二腈 (CAS 55462-98-1) is a chemical compound with molecular formula C6H6N2 and molecular weight 106.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-亚丙基丙二腈
2-propylidenepropanedinitrile
Also Known As: Dicyanobutene, 2-Propylidenemalononitrile, 2-propylidenepropanedinitrile, Butene, dicyano-, 2-Propylidene-malononitrile
| Molecular Formula | C6H6N2 |
|---|---|
| Molecular Weight | 106.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 106.0531 |
| Heavy Atoms | 8 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 55462-98-1 |
|---|---|
| SMILES | CCC=C(C#N)C#N |
| InChIKey | JKBPBRLDGFKIIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-亚丙基丙二腈 (CAS 55462-98-1), with molecular formula C6H6N2 and molecular weight 106.05 g/mol. IUPAC: 2-propylidenepropanedinitrile.
Chemical Property Profile of 2-亚丙基丙二腈
Property Insights of 2-亚丙基丙二腈
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-亚丙基丙二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 2-亚丙基丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-亚丙基丙二腈 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-亚丙基丙二腈?
The CAS number of 2-亚丙基丙二腈 is 55462-98-1.
What is the molecular formula of 2-亚丙基丙二腈?
The molecular formula of 2-亚丙基丙二腈 is C6H6N2.
What is the molecular weight of 2-亚丙基丙二腈?
The molecular weight of 2-亚丙基丙二腈 is 106.05 g/mol.
Where can I buy 2-亚丙基丙二腈?
You can request a quote for 2-亚丙基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-亚丙基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 2-亚丙基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.