Valerenal
TL;DR: Valerenal (CAS 4176-16-3) is a chemical compound with molecular formula C15H22O and molecular weight 218.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal
Also Known As: Valerenal, Valeneral, VALERENAL(P), (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal, (Z)-2-(2-Tritylaminothiazol-4-yl)-2-trityloxyiminoaceticacid
| Molecular Formula | C15H22O |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 3.9042 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.16707 |
| Heavy Atoms | 16 |
| Complexity | 348.44644 |
Chemical Identifiers
| CAS Number | 4176-16-3 |
|---|---|
| SMILES | C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(\C)/C=O |
Product Overview
Valerenal (CAS 4176-16-3), with molecular formula C15H22O and molecular weight 218.17 g/mol. IUPAC: (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal.
Chemical Property Profile of Valerenal
Property Insights of Valerenal
The XLogP value of 3.9042 indicates that Valerenal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Valerenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valerenal has 0 hydrogen bond donor(s) and 1 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 Valerenal?
The CAS number of Valerenal is 4176-16-3.
What is the molecular formula of Valerenal?
The molecular formula of Valerenal is C15H22O.
What is the molecular weight of Valerenal?
The molecular weight of Valerenal is 218.17 g/mol.
Where can I buy Valerenal?
You can request a quote for Valerenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valerenal?
Yes, KEHONG BIO provides custom synthesis services for Valerenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.