癸二腈
TL;DR: 癸二腈 (CAS 1871-96-1) is a chemical compound with molecular formula C10H16N2 and molecular weight 164.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
癸二腈
decanedinitrile
Also Known As: Sebaconitrile, Decanedinitrile, 1,8-Dicyanooctane, Octamethylene dicyanide, Oktamethylendikyanid
| Molecular Formula | C10H16N2 |
|---|---|
| Molecular Weight | 164.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 164.13135 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 1871-96-1 |
|---|---|
| SMILES | C(CCCCC#N)CCCC#N |
| InChIKey | DFJYZCUIKPGCSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
癸二腈 (CAS 1871-96-1), with molecular formula C10H16N2 and molecular weight 164.13 g/mol. IUPAC: decanedinitrile.
Chemical Property Profile of 癸二腈
Property Insights of 癸二腈
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 癸二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 癸二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 癸二腈 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 癸二腈?
The CAS number of 癸二腈 is 1871-96-1.
What is the molecular formula of 癸二腈?
The molecular formula of 癸二腈 is C10H16N2.
What is the molecular weight of 癸二腈?
The molecular weight of 癸二腈 is 164.13 g/mol.
Where can I buy 癸二腈?
You can request a quote for 癸二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 癸二腈?
Yes, KEHONG BIO provides custom synthesis services for 癸二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.