(2R)-2-Isocyanatooctane
TL;DR: (2R)-2-Isocyanatooctane (CAS 745783-86-2) 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.
(2R)-2-isocyanatooctane
Also Known As: (2R)-2-ISOCYANATOOCTANE, (R)-(-)-2-OCTYL ISOCYANATE, (R)-(-)-2-OCTYLISOCYANATE, (R)-(-)-2-Octyl isocyanate, AldrichCPR, 1-CHLORO-4-[(1S)-1-ISOCYANATOETHYL]BENZENE
| 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 | 745783-86-2 |
|---|---|
| SMILES | CCCCCC[C@@H](C)N=C=O |
Product Overview
(2R)-2-Isocyanatooctane (CAS 745783-86-2), with molecular formula C9H17NO and molecular weight 155.13 g/mol. IUPAC: (2R)-2-isocyanatooctane.
Chemical Property Profile of (2R)-2-Isocyanatooctane
Property Insights of (2R)-2-Isocyanatooctane
The XLogP value of 2.6811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R)-2-Isocyanatooctane. With a topological polar surface area (TPSA) of 29.43 Ų, (2R)-2-Isocyanatooctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R)-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 (2R)-2-Isocyanatooctane?
The CAS number of (2R)-2-Isocyanatooctane is 745783-86-2.
What is the molecular formula of (2R)-2-Isocyanatooctane?
The molecular formula of (2R)-2-Isocyanatooctane is C9H17NO.
What is the molecular weight of (2R)-2-Isocyanatooctane?
The molecular weight of (2R)-2-Isocyanatooctane is 155.13 g/mol.
Where can I buy (2R)-2-Isocyanatooctane?
You can request a quote for (2R)-2-Isocyanatooctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R)-2-Isocyanatooctane?
Yes, KEHONG BIO provides custom synthesis services for (2R)-2-Isocyanatooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.