Brl 20459
TL;DR: Brl 20459 (CAS 82857-75-8) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-methyl-6-(3-oxobutyl)-3,4,5,6,7,8-hexahydronaphthalen-2-one
Also Known As: Brl 20459, 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl-6-(3-oxobutyl)-, 4a-methyl-6-(3-oxobutyl)-3,4,5,6,7,8-hexahydronaphthalen-2-one, 4alpha-beta-Methyl-6beta-(3'-oxobutyl)-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenone, 4,4a,5,6,7,8-Hexahydro-4a-methyl-6-(3-oxobutyl)-2(3H)-naphthalenone
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 82857-75-8 |
|---|---|
| SMILES | CC(=O)CCC1CCC2=CC(=O)CCC2(C1)C |
| InChIKey | DONOCKFHWHSVEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Brl 20459 (CAS 82857-75-8), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: 4a-methyl-6-(3-oxobutyl)-3,4,5,6,7,8-hexahydronaphthalen-2-one.
Chemical Property Profile of Brl 20459
Property Insights of Brl 20459
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brl 20459. With a topological polar surface area (TPSA) of 34.1 Ų, Brl 20459 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brl 20459 has 0 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 Brl 20459?
The CAS number of Brl 20459 is 82857-75-8.
What is the molecular formula of Brl 20459?
The molecular formula of Brl 20459 is C15H22O2.
What is the molecular weight of Brl 20459?
The molecular weight of Brl 20459 is 234.16 g/mol.
Where can I buy Brl 20459?
You can request a quote for Brl 20459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brl 20459?
Yes, KEHONG BIO provides custom synthesis services for Brl 20459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.