RefChem:1058656
TL;DR: RefChem:1058656 (CAS 54594-42-2) is a chemical compound with molecular formula C14H24O and molecular weight 208.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-methyl-7-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
Also Known As: 7-Isopropyl-4a-methyloctahydro-2(1H)-naphthalenone, 2(1H)-Naphthalenone, octahydro-4a-methyl-7-(1-methylethyl)-. (4aalpha,7beta,8abeta)-, 4a-methyl-7-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one, 7-Isopropyl-4a-methyloctahydro-2(1H)-naphthalenone #, 4a-methyl-7-(propan-2-yl)octahydronaphthalen-2(1H)-one
| Molecular Formula | C14H24O |
|---|---|
| Molecular Weight | 208.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.18271 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 54594-42-2 |
|---|---|
| SMILES | CC(C)C1CCC2(CCC(=O)CC2C1)C |
| InChIKey | SFCYLKIUQMBSEF-UHFFFAOYSA-N |
Product Overview
RefChem:1058656 (CAS 54594-42-2), with molecular formula C14H24O and molecular weight 208.18 g/mol. IUPAC: 4a-methyl-7-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one.
Chemical Property Profile of RefChem:1058656
Property Insights of RefChem:1058656
The XLogP value of 3.9 indicates that RefChem:1058656 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, RefChem:1058656 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058656 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 RefChem:1058656?
The CAS number of RefChem:1058656 is 54594-42-2.
What is the molecular formula of RefChem:1058656?
The molecular formula of RefChem:1058656 is C14H24O.
What is the molecular weight of RefChem:1058656?
The molecular weight of RefChem:1058656 is 208.18 g/mol.
Where can I buy RefChem:1058656?
You can request a quote for RefChem:1058656 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058656?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058656 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.