Acetylvalerenolic acid
TL;DR: Acetylvalerenolic acid (CAS 81397-67-3) is a chemical compound with molecular formula C17H24O4 and molecular weight 292.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid
Also Known As: Acetoxyvalerensre, Acetylvalerenolic acid, Acetoxyvalerenic Acid, (E)-3-(1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid, Acetoxyvalerenic acid - Valeriana officinalis (common valerian)
| Molecular Formula | C17H24O4 |
|---|---|
| Molecular Weight | 292.17 g/mol |
| LogP | 3.3315 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.16745 |
| Heavy Atoms | 21 |
| Complexity | 514.8832 |
Chemical Identifiers
| CAS Number | 81397-67-3 |
|---|---|
| SMILES | CC1CCC(C2=C(CC(C12)OC(=O)C)C)/C=C(\C)/C(=O)O |
Product Overview
Acetylvalerenolic acid (CAS 81397-67-3), with molecular formula C17H24O4 and molecular weight 292.17 g/mol. IUPAC: (E)-3-(1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid.
Chemical Property Profile of Acetylvalerenolic acid
Property Insights of Acetylvalerenolic acid
The XLogP value of 3.3315 indicates that Acetylvalerenolic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylvalerenolic acid. Following Lipinski's Rule of Five, Acetylvalerenolic acid has 1 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 Acetylvalerenolic acid?
The CAS number of Acetylvalerenolic acid is 81397-67-3.
What is the molecular formula of Acetylvalerenolic acid?
The molecular formula of Acetylvalerenolic acid is C17H24O4.
What is the molecular weight of Acetylvalerenolic acid?
The molecular weight of Acetylvalerenolic acid is 292.17 g/mol.
Where can I buy Acetylvalerenolic acid?
You can request a quote for Acetylvalerenolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylvalerenolic acid?
Yes, KEHONG BIO provides custom synthesis services for Acetylvalerenolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.