4-Octanone, 5-hydroxy-2,7-dimethyl-
TL;DR: 4-Octanone, 5-hydroxy-2,7-dimethyl- (CAS 6838-51-3) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2,7-dimethyloctan-4-one
Also Known As: 5-hydroxy-2,7-dimethyloctan-4-one, 5-hydroxy-2,7-dimethyl-octan-4-one, 2,7-dimethyl-5-hydroxy-4-octanone, 5-Hydroxy-2,7-dimethyl-4-octanone, 2,7-Dimethyl-5-hydroxyoctane-4-one
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 6838-51-3 |
|---|---|
| SMILES | CC(C)CC(C(=O)CC(C)C)O |
| InChIKey | NVLCZXVVPKJWST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Octanone, 5-hydroxy-2,7-dimethyl- (CAS 6838-51-3), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 5-hydroxy-2,7-dimethyloctan-4-one.
Chemical Property Profile of 4-Octanone, 5-hydroxy-2,7-dimethyl-
Property Insights of 4-Octanone, 5-hydroxy-2,7-dimethyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Octanone, 5-hydroxy-2,7-dimethyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Octanone, 5-hydroxy-2,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Octanone, 5-hydroxy-2,7-dimethyl- 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 4-Octanone, 5-hydroxy-2,7-dimethyl-?
The CAS number of 4-Octanone, 5-hydroxy-2,7-dimethyl- is 6838-51-3.
What is the molecular formula of 4-Octanone, 5-hydroxy-2,7-dimethyl-?
The molecular formula of 4-Octanone, 5-hydroxy-2,7-dimethyl- is C10H20O2.
What is the molecular weight of 4-Octanone, 5-hydroxy-2,7-dimethyl-?
The molecular weight of 4-Octanone, 5-hydroxy-2,7-dimethyl- is 172.15 g/mol.
Where can I buy 4-Octanone, 5-hydroxy-2,7-dimethyl-?
You can request a quote for 4-Octanone, 5-hydroxy-2,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Octanone, 5-hydroxy-2,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Octanone, 5-hydroxy-2,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.