Hexane, 1,5-diisocyanato-
TL;DR: Hexane, 1,5-diisocyanato- (CAS 86850-80-8) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-diisocyanatohexane
Also Known As: 1,5-diisocyanatohexane, Hexane, 1,5-diisocyanato-, Hexane,1,5-diisocyanato
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 1.2168 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 203.1034 |
Chemical Identifiers
| CAS Number | 86850-80-8 |
|---|---|
| SMILES | CC(CCCCN=C=O)N=C=O |
Product Overview
Hexane, 1,5-diisocyanato- (CAS 86850-80-8), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 1,5-diisocyanatohexane.
Chemical Property Profile of Hexane, 1,5-diisocyanato-
Property Insights of Hexane, 1,5-diisocyanato-
The XLogP value of 1.2168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexane, 1,5-diisocyanato-. With a topological polar surface area (TPSA) of 58.86 Ų, Hexane, 1,5-diisocyanato- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexane, 1,5-diisocyanato- has 0 hydrogen bond donor(s) and 4 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 Hexane, 1,5-diisocyanato-?
The CAS number of Hexane, 1,5-diisocyanato- is 86850-80-8.
What is the molecular formula of Hexane, 1,5-diisocyanato-?
The molecular formula of Hexane, 1,5-diisocyanato- is C8H12N2O2.
What is the molecular weight of Hexane, 1,5-diisocyanato-?
The molecular weight of Hexane, 1,5-diisocyanato- is 168.09 g/mol.
Where can I buy Hexane, 1,5-diisocyanato-?
You can request a quote for Hexane, 1,5-diisocyanato- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexane, 1,5-diisocyanato-?
Yes, KEHONG BIO provides custom synthesis services for Hexane, 1,5-diisocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.