2-Nitrocyclohexane-1,3-diol
TL;DR: 2-Nitrocyclohexane-1,3-diol (CAS 38150-01-5) is a chemical compound with molecular formula C6H11NO4 and molecular weight 161.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrocyclohexane-1,3-diol
Also Known As: 2-nitrocyclohexane-1,3-diol, (1S,3R)-2-nitrocyclohexane-1,3-diol, (1R,2R,3S)-2-Nitrocyclohexane-1,3-diol, J1.978.026K, RefChem:264334
| Molecular Formula | C6H11NO4 |
|---|---|
| Molecular Weight | 161.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.0688 |
| Heavy Atoms | 11 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 38150-01-5 |
|---|---|
| SMILES | C1CC(C(C(C1)O)[N+](=O)[O-])O |
| InChIKey | MOARHLBZNDZIFZ-UHFFFAOYSA-N |
Product Overview
2-Nitrocyclohexane-1,3-diol (CAS 38150-01-5), with molecular formula C6H11NO4 and molecular weight 161.07 g/mol. IUPAC: 2-nitrocyclohexane-1,3-diol.
Chemical Property Profile of 2-Nitrocyclohexane-1,3-diol
Property Insights of 2-Nitrocyclohexane-1,3-diol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrocyclohexane-1,3-diol. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrocyclohexane-1,3-diol. Following Lipinski's Rule of Five, 2-Nitrocyclohexane-1,3-diol has 2 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 2-Nitrocyclohexane-1,3-diol?
The CAS number of 2-Nitrocyclohexane-1,3-diol is 38150-01-5.
What is the molecular formula of 2-Nitrocyclohexane-1,3-diol?
The molecular formula of 2-Nitrocyclohexane-1,3-diol is C6H11NO4.
What is the molecular weight of 2-Nitrocyclohexane-1,3-diol?
The molecular weight of 2-Nitrocyclohexane-1,3-diol is 161.07 g/mol.
Where can I buy 2-Nitrocyclohexane-1,3-diol?
You can request a quote for 2-Nitrocyclohexane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrocyclohexane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrocyclohexane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.