2-Isocyanocyclohexanol
TL;DR: 2-Isocyanocyclohexanol (CAS 83152-97-0) is a chemical compound with molecular formula C7H11NO and molecular weight 125.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanocyclohexan-1-ol
Also Known As: 2-isocyanocyclohexanol, trans-2-isocyanocyclohexanol
| Molecular Formula | C7H11NO |
|---|---|
| Molecular Weight | 125.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 24.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.08406 |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 83152-97-0 |
|---|---|
| SMILES | [C-]#[N+]C1CCCCC1O |
| InChIKey | ADNUEQZTVYKCJN-UHFFFAOYSA-N |
Product Overview
2-Isocyanocyclohexanol (CAS 83152-97-0), with molecular formula C7H11NO and molecular weight 125.08 g/mol. IUPAC: 2-isocyanocyclohexan-1-ol.
Chemical Property Profile of 2-Isocyanocyclohexanol
Property Insights of 2-Isocyanocyclohexanol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isocyanocyclohexanol. With a topological polar surface area (TPSA) of 24.6 Ų, 2-Isocyanocyclohexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyanocyclohexanol has 1 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-Isocyanocyclohexanol?
The CAS number of 2-Isocyanocyclohexanol is 83152-97-0.
What is the molecular formula of 2-Isocyanocyclohexanol?
The molecular formula of 2-Isocyanocyclohexanol is C7H11NO.
What is the molecular weight of 2-Isocyanocyclohexanol?
The molecular weight of 2-Isocyanocyclohexanol is 125.08 g/mol.
Where can I buy 2-Isocyanocyclohexanol?
You can request a quote for 2-Isocyanocyclohexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isocyanocyclohexanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyanocyclohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.