Valeranone
TL;DR: Valeranone (CAS 1803-39-0) is a chemical compound with molecular formula C15H26O and molecular weight 222.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,7S,8aS)-4a,8a-dimethyl-7-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
Also Known As: Valeranone, Yatamanson, Jatamansone, (+)-Valeranone, (4aR,7S,8aS)-4a,8a-dimethyl-7-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
| Molecular Formula | C15H26O |
|---|---|
| Molecular Weight | 222.20 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.19836 |
| Heavy Atoms | 16 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 1803-39-0 |
|---|---|
| SMILES | CC(C)[C@H]1CC[C@]2(CCCC(=O)[C@]2(C1)C)C |
| InChIKey | HDVXJTYHXDVWQO-NWANDNLSSA-N |
Product Overview
Valeranone (CAS 1803-39-0), with molecular formula C15H26O and molecular weight 222.20 g/mol. IUPAC: (4aR,7S,8aS)-4a,8a-dimethyl-7-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.
Chemical Property Profile of Valeranone
Property Insights of Valeranone
The XLogP value of 4.4 indicates that Valeranone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Valeranone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeranone 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 Valeranone?
The CAS number of Valeranone is 1803-39-0.
What is the molecular formula of Valeranone?
The molecular formula of Valeranone is C15H26O.
What is the molecular weight of Valeranone?
The molecular weight of Valeranone is 222.20 g/mol.
Where can I buy Valeranone?
You can request a quote for Valeranone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valeranone?
Yes, KEHONG BIO provides custom synthesis services for Valeranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.