(环己基亚氨基)二乙腈
TL;DR: (环己基亚氨基)二乙腈 (CAS 4823-13-6) is a chemical compound with molecular formula C10H15N3 and molecular weight 177.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(环己基亚氨基)二乙腈
2-[cyanomethyl(cyclohexyl)amino]acetonitrile
Also Known As: Acetonitrile, (cyclohexylimino)di-, 2,2'-(Cyclohexylimino)diacetonitrile, ACETONITRILE, 2,2'-(CYCLOHEXYLIMINO)DI-, 2-[cyanomethyl(cyclohexyl)amino]acetonitrile, Cyclohexyliminobis(acetonitrile)
| Molecular Formula | C10H15N3 |
|---|---|
| Molecular Weight | 177.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.1266 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 4823-13-6 |
|---|---|
| SMILES | C1CCC(CC1)N(CC#N)CC#N |
| InChIKey | STOVQBQVJIJSJJ-UHFFFAOYSA-N |
Product Overview
(环己基亚氨基)二乙腈 (CAS 4823-13-6), with molecular formula C10H15N3 and molecular weight 177.13 g/mol. IUPAC: 2-[cyanomethyl(cyclohexyl)amino]acetonitrile.
Chemical Property Profile of (环己基亚氨基)二乙腈
Property Insights of (环己基亚氨基)二乙腈
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (环己基亚氨基)二乙腈. With a topological polar surface area (TPSA) of 50.8 Ų, (环己基亚氨基)二乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (环己基亚氨基)二乙腈 has 0 hydrogen bond donor(s) and 3 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 (环己基亚氨基)二乙腈?
The CAS number of (环己基亚氨基)二乙腈 is 4823-13-6.
What is the molecular formula of (环己基亚氨基)二乙腈?
The molecular formula of (环己基亚氨基)二乙腈 is C10H15N3.
What is the molecular weight of (环己基亚氨基)二乙腈?
The molecular weight of (环己基亚氨基)二乙腈 is 177.13 g/mol.
Where can I buy (环己基亚氨基)二乙腈?
You can request a quote for (环己基亚氨基)二乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (环己基亚氨基)二乙腈?
Yes, KEHONG BIO provides custom synthesis services for (环己基亚氨基)二乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.