二氢己二腈
TL;DR: 二氢己二腈 (CAS 1119-85-3) 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.
二氢己二腈
hex-3-enedinitrile
Also Known As: hex-3-enedinitrile, 3-HEXENEDINITRILE, 1,4-Dicyano-2-butene, Dihydromucononitrile, 3-Hexene, dinitrile
| Molecular Formula | C6H6N2 |
|---|---|
| Molecular Weight | 106.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 106.0531 |
| Heavy Atoms | 8 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 1119-85-3 |
|---|---|
| SMILES | C(C=CCC#N)C#N |
| InChIKey | BSVZXPLUMFUWHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氢己二腈 (CAS 1119-85-3), with molecular formula C6H6N2 and molecular weight 106.05 g/mol. IUPAC: hex-3-enedinitrile.
Chemical Property Profile of 二氢己二腈
Property Insights of 二氢己二腈
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氢己二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 二氢己二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氢己二腈 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 二氢己二腈?
The CAS number of 二氢己二腈 is 1119-85-3.
What is the molecular formula of 二氢己二腈?
The molecular formula of 二氢己二腈 is C6H6N2.
What is the molecular weight of 二氢己二腈?
The molecular weight of 二氢己二腈 is 106.05 g/mol.
Where can I buy 二氢己二腈?
You can request a quote for 二氢己二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氢己二腈?
Yes, KEHONG BIO provides custom synthesis services for 二氢己二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.