5-Methyl-3-nitro-2,4-hexanediol
TL;DR: 5-Methyl-3-nitro-2,4-hexanediol (CAS 78651-63-5) is a chemical compound with molecular formula C7H15NO4 and molecular weight 177.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-nitrohexane-2,4-diol
Also Known As: 5-methyl-3-nitrohexane-2,4-diol, 5-Methyl-3-nitro-2,4-hexanediol, 2,4-Hexanediol, 5-methyl-3-nitro-, 5-Methyl-3-nitro-2,4-hexanediol #, RefChem:304133
| Molecular Formula | C7H15NO4 |
|---|---|
| Molecular Weight | 177.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.10011 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 78651-63-5 |
|---|---|
| SMILES | CC(C)C(C(C(C)O)[N+](=O)[O-])O |
| InChIKey | MHMKYCQSVYJNNY-UHFFFAOYSA-N |
Product Overview
5-Methyl-3-nitro-2,4-hexanediol (CAS 78651-63-5), with molecular formula C7H15NO4 and molecular weight 177.10 g/mol. IUPAC: 5-methyl-3-nitrohexane-2,4-diol.
Chemical Property Profile of 5-Methyl-3-nitro-2,4-hexanediol
Property Insights of 5-Methyl-3-nitro-2,4-hexanediol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-nitro-2,4-hexanediol. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-3-nitro-2,4-hexanediol. Following Lipinski's Rule of Five, 5-Methyl-3-nitro-2,4-hexanediol 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 5-Methyl-3-nitro-2,4-hexanediol?
The CAS number of 5-Methyl-3-nitro-2,4-hexanediol is 78651-63-5.
What is the molecular formula of 5-Methyl-3-nitro-2,4-hexanediol?
The molecular formula of 5-Methyl-3-nitro-2,4-hexanediol is C7H15NO4.
What is the molecular weight of 5-Methyl-3-nitro-2,4-hexanediol?
The molecular weight of 5-Methyl-3-nitro-2,4-hexanediol is 177.10 g/mol.
Where can I buy 5-Methyl-3-nitro-2,4-hexanediol?
You can request a quote for 5-Methyl-3-nitro-2,4-hexanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3-nitro-2,4-hexanediol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-nitro-2,4-hexanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.