Hydroxyvalerenic acid
TL;DR: Hydroxyvalerenic acid (CAS 1619-16-5) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[(1R,4S,7R,7aR)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
Also Known As: Hydroxyvalerenic Acid, Valerenolic acid, hydroxyvalerensaure, Hydroxyvalerens?ure, ERK5-4C12
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 2.7607 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 419.45465 |
Chemical Identifiers
| CAS Number | 1619-16-5 |
|---|---|
| SMILES | C[C@@H]1CC[C@H](C2=C(C[C@H]([C@H]12)O)C)/C=C(\C)/C(=O)O |
Product Overview
Hydroxyvalerenic acid (CAS 1619-16-5), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: (E)-3-[(1R,4S,7R,7aR)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid.
Chemical Property Profile of Hydroxyvalerenic acid
Property Insights of Hydroxyvalerenic acid
The XLogP value of 2.7607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxyvalerenic acid. With a topological polar surface area (TPSA) of 57.53 Ų, Hydroxyvalerenic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxyvalerenic acid has 2 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 Hydroxyvalerenic acid?
The CAS number of Hydroxyvalerenic acid is 1619-16-5.
What is the molecular formula of Hydroxyvalerenic acid?
The molecular formula of Hydroxyvalerenic acid is C15H22O3.
What is the molecular weight of Hydroxyvalerenic acid?
The molecular weight of Hydroxyvalerenic acid is 250.16 g/mol.
Where can I buy Hydroxyvalerenic acid?
You can request a quote for Hydroxyvalerenic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxyvalerenic acid?
Yes, KEHONG BIO provides custom synthesis services for Hydroxyvalerenic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.