8-Oxogeraniol
TL;DR: 8-Oxogeraniol (CAS 38290-51-6) is a chemical compound with molecular formula C13H9N3Na2O8S2 and molecular weight 444.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-disulfonate
Also Known As: 8-oxogeraniol, 2,4-Disulfobenzaldehyde-4'-nitrophenylhydrazine Disodium Salt, Disodium 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-disulfonate, 2,4-Disulfobenzaldehyde-4 inverted exclamation mark -nitrophenylhydrazine Disodium Salt, (E,E)-8-Hydroxy-2,6-dimethyl-2,6-octadienal; (2E,6E)-8-Oxo-3,7-dimethyl-2,6-octadien-1-ol
| Molecular Formula | C13H9N3Na2O8S2 |
|---|---|
| Molecular Weight | 444.96 g/mol |
| LogP | -5.143 |
| Topological Polar Surface Area | 181.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.96265 |
| Heavy Atoms | 28 |
| Complexity | 1087.2667 |
Chemical Identifiers
| CAS Number | 38290-51-6 |
|---|---|
| SMILES | C1=CC(=CC=C1N/N=C/C2=C(C=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+] |
Product Overview
8-Oxogeraniol (CAS 38290-51-6), with molecular formula C13H9N3Na2O8S2 and molecular weight 444.96 g/mol. IUPAC: disodium;4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-disulfonate.
Chemical Property Profile of 8-Oxogeraniol
Property Insights of 8-Oxogeraniol
The XLogP value of -5.143 indicates that 8-Oxogeraniol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.93 Ų indicates high polarity, suggesting 8-Oxogeraniol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Oxogeraniol has 1 hydrogen bond donor(s) and 10 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 8-Oxogeraniol?
The CAS number of 8-Oxogeraniol is 38290-51-6.
What is the molecular formula of 8-Oxogeraniol?
The molecular formula of 8-Oxogeraniol is C13H9N3Na2O8S2.
What is the molecular weight of 8-Oxogeraniol?
The molecular weight of 8-Oxogeraniol is 444.96 g/mol.
Where can I buy 8-Oxogeraniol?
You can request a quote for 8-Oxogeraniol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Oxogeraniol?
Yes, KEHONG BIO provides custom synthesis services for 8-Oxogeraniol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.