7-Hydroxycitronellic acid
TL;DR: 7-Hydroxycitronellic acid (CAS 56046-15-2) is a chemical compound with molecular formula C10H20O3 and molecular weight 188.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-3,7-dimethyloctanoic acid
Also Known As: 7-hydroxy-3,7-dimethyloctanoic acid, 7-Hydroxycitronellic acid, Citronellic acid, hydroxy-, Hydroxycitronellic acid, Octanoic acid, 7-hydroxy-3,7-dimethyl-
| Molecular Formula | C10H20O3 |
|---|---|
| Molecular Weight | 188.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.14125 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 56046-15-2 |
|---|---|
| SMILES | CC(CCCC(C)(C)O)CC(=O)O |
| InChIKey | LBBSPQOXZLKDOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Hydroxycitronellic acid (CAS 56046-15-2), with molecular formula C10H20O3 and molecular weight 188.14 g/mol. IUPAC: 7-hydroxy-3,7-dimethyloctanoic acid.
Chemical Property Profile of 7-Hydroxycitronellic acid
Property Insights of 7-Hydroxycitronellic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxycitronellic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 7-Hydroxycitronellic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Hydroxycitronellic acid has 2 hydrogen bond donor(s) and 3 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 7-Hydroxycitronellic acid?
The CAS number of 7-Hydroxycitronellic acid is 56046-15-2.
What is the molecular formula of 7-Hydroxycitronellic acid?
The molecular formula of 7-Hydroxycitronellic acid is C10H20O3.
What is the molecular weight of 7-Hydroxycitronellic acid?
The molecular weight of 7-Hydroxycitronellic acid is 188.14 g/mol.
Where can I buy 7-Hydroxycitronellic acid?
You can request a quote for 7-Hydroxycitronellic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxycitronellic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxycitronellic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.