2-Isocyanatooctane
TL;DR: 2-Isocyanatooctane (CAS 745783-87-3) is a chemical compound with molecular formula C9H17NO and molecular weight 155.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanatooctane
Also Known As: 2-isocyanatooctane, 2-isocyanato-octane, 1-Methylheptyl isocyanate, 1-methyl-heptyl isocyanate, (R)-(-)-2-OCTYL ISOCYANATE
| Molecular Formula | C9H17NO |
|---|---|
| Molecular Weight | 155.13 g/mol |
| LogP | 2.6811 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 155.13101 |
| Heavy Atoms | 11 |
| Complexity | 127.52442 |
Chemical Identifiers
| CAS Number | 745783-87-3 |
|---|---|
| SMILES | CCCCCCC(C)N=C=O |
Product Overview
2-Isocyanatooctane (CAS 745783-87-3), with molecular formula C9H17NO and molecular weight 155.13 g/mol. IUPAC: 2-isocyanatooctane.
Chemical Property Profile of 2-Isocyanatooctane
Property Insights of 2-Isocyanatooctane
The XLogP value of 2.6811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isocyanatooctane. With a topological polar surface area (TPSA) of 29.43 Ų, 2-Isocyanatooctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyanatooctane 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 2-Isocyanatooctane?
The CAS number of 2-Isocyanatooctane is 745783-87-3.
What is the molecular formula of 2-Isocyanatooctane?
The molecular formula of 2-Isocyanatooctane is C9H17NO.
What is the molecular weight of 2-Isocyanatooctane?
The molecular weight of 2-Isocyanatooctane is 155.13 g/mol.
Where can I buy 2-Isocyanatooctane?
You can request a quote for 2-Isocyanatooctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isocyanatooctane?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyanatooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.