RefChem:379164
TL;DR: RefChem:379164 (CAS 53662-94-5) is a chemical compound with molecular formula C15H24O2 and molecular weight 236.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydronaphthalen-2-one
Also Known As: AD-266/41884761, 5-tert-butoxy-4a-methyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone, rel-(4aR,5R)-5-(1,1-Dimethylethoxy)-4,4a,5,6,7,8-hexahydro-4a-methyl-2(3H)-naphthalenone, (4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydronaphthalen-2-one, 2(3H)-Naphthalenone, 5-(1,1-dimethylethoxy)-4,4a,5,6,7,8-hexahydro-4a-methyl-, (4aR,5R)-rel-
| Molecular Formula | C15H24O2 |
|---|---|
| Molecular Weight | 236.18 g/mol |
| LogP | 3.6496 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.17763 |
| Heavy Atoms | 17 |
| Complexity | 348.42355 |
Chemical Identifiers
| CAS Number | 53662-94-5 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CCC[C@@H]2OC(C)(C)C |
Product Overview
RefChem:379164 (CAS 53662-94-5), with molecular formula C15H24O2 and molecular weight 236.18 g/mol. IUPAC: (4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydronaphthalen-2-one.
Chemical Property Profile of RefChem:379164
Property Insights of RefChem:379164
The XLogP value of 3.6496 indicates that RefChem:379164 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, RefChem:379164 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:379164 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 RefChem:379164?
The CAS number of RefChem:379164 is 53662-94-5.
What is the molecular formula of RefChem:379164?
The molecular formula of RefChem:379164 is C15H24O2.
What is the molecular weight of RefChem:379164?
The molecular weight of RefChem:379164 is 236.18 g/mol.
Where can I buy RefChem:379164?
You can request a quote for RefChem:379164 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:379164?
Yes, KEHONG BIO provides custom synthesis services for RefChem:379164 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.