2-亚甲基戊二腈
TL;DR: 2-亚甲基戊二腈 (CAS 1572-52-7) 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-亚甲基戊二腈
2-methylidenepentanedinitrile
Also Known As: 2-Methyleneglutaronitrile, 2-Methylenepentanedinitrile, Methylene glutaronitrile, 2,4-Dicyano-1-butene, Pentanedinitrile, 2-methylene-
| Molecular Formula | C6H6N2 |
|---|---|
| Molecular Weight | 106.05 g/mol |
| LogP | 0.5 |
| 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 | 173.0 |
Chemical Identifiers
| CAS Number | 1572-52-7 |
|---|---|
| SMILES | C=C(CCC#N)C#N |
| InChIKey | NGCJVMZXRCLPRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-亚甲基戊二腈 (CAS 1572-52-7), with molecular formula C6H6N2 and molecular weight 106.05 g/mol. IUPAC: 2-methylidenepentanedinitrile.
Chemical Property Profile of 2-亚甲基戊二腈
Property Insights of 2-亚甲基戊二腈
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-亚甲基戊二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 2-亚甲基戊二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-亚甲基戊二腈 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-亚甲基戊二腈?
The CAS number of 2-亚甲基戊二腈 is 1572-52-7.
What is the molecular formula of 2-亚甲基戊二腈?
The molecular formula of 2-亚甲基戊二腈 is C6H6N2.
What is the molecular weight of 2-亚甲基戊二腈?
The molecular weight of 2-亚甲基戊二腈 is 106.05 g/mol.
Where can I buy 2-亚甲基戊二腈?
You can request a quote for 2-亚甲基戊二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-亚甲基戊二腈?
Yes, KEHONG BIO provides custom synthesis services for 2-亚甲基戊二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.