庚二腈
TL;DR: 庚二腈 (CAS 646-20-8) is a chemical compound with molecular formula C7H10N2 and molecular weight 122.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
庚二腈
heptanedinitrile
Also Known As: Heptanedinitrile, 1,5-Dicyanopentane, PIMELONITRILE, Pentamethylene dicyanide, Pimelic acid dinitrile
| Molecular Formula | C7H10N2 |
|---|---|
| Molecular Weight | 122.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 122.0844 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 646-20-8 |
|---|---|
| SMILES | C(CCC#N)CCC#N |
| InChIKey | LLEVMYXEJUDBTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
庚二腈 (CAS 646-20-8), with molecular formula C7H10N2 and molecular weight 122.08 g/mol. IUPAC: heptanedinitrile.
Chemical Property Profile of 庚二腈
Property Insights of 庚二腈
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 庚二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 庚二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 庚二腈 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 庚二腈?
The CAS number of 庚二腈 is 646-20-8.
What is the molecular formula of 庚二腈?
The molecular formula of 庚二腈 is C7H10N2.
What is the molecular weight of 庚二腈?
The molecular weight of 庚二腈 is 122.08 g/mol.
Where can I buy 庚二腈?
You can request a quote for 庚二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 庚二腈?
Yes, KEHONG BIO provides custom synthesis services for 庚二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.