(S)-(+)-2-Hexyl isocyanate
TL;DR: (S)-(+)-2-Hexyl isocyanate (CAS 745783-78-2) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-isocyanatohexane
Also Known As: (S)-(+)-2-HEXYL ISOCYANATE, (2S)-2-ISOCYANATOHEXANE, (S)-(+)-2-HEXYLISOCYANATE
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 1.9009 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 105.48378 |
Chemical Identifiers
| CAS Number | 745783-78-2 |
|---|---|
| SMILES | CCCC[C@H](C)N=C=O |
Product Overview
(S)-(+)-2-Hexyl isocyanate (CAS 745783-78-2), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: (2S)-2-isocyanatohexane.
Chemical Property Profile of (S)-(+)-2-Hexyl isocyanate
Property Insights of (S)-(+)-2-Hexyl isocyanate
The XLogP value of 1.9009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-(+)-2-Hexyl isocyanate. With a topological polar surface area (TPSA) of 29.43 Ų, (S)-(+)-2-Hexyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-(+)-2-Hexyl isocyanate 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 (S)-(+)-2-Hexyl isocyanate?
The CAS number of (S)-(+)-2-Hexyl isocyanate is 745783-78-2.
What is the molecular formula of (S)-(+)-2-Hexyl isocyanate?
The molecular formula of (S)-(+)-2-Hexyl isocyanate is C7H13NO.
What is the molecular weight of (S)-(+)-2-Hexyl isocyanate?
The molecular weight of (S)-(+)-2-Hexyl isocyanate is 127.10 g/mol.
Where can I buy (S)-(+)-2-Hexyl isocyanate?
You can request a quote for (S)-(+)-2-Hexyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-(+)-2-Hexyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for (S)-(+)-2-Hexyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.