8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate
TL;DR: 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate (CAS 65853-65-8) is a chemical compound with molecular formula C18H24O4S and molecular weight 336.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8a-methyl-6-oxo-1,2,3,4,4a,5,7,8-octahydronaphthalen-1-yl) 4-methylbenzenesulfonate
Also Known As: 8a-methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate, (8a-methyl-6-oxo-1,2,3,4,4a,5,7,8-octahydronaphthalen-1-yl) 4-methylbenzenesulfonate, 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate
| Molecular Formula | C18H24O4S |
|---|---|
| Molecular Weight | 336.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.13953 |
| Heavy Atoms | 23 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 65853-65-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC3C2(CCC(=O)C3)C |
| InChIKey | ZGICQDYFNFBHKT-UHFFFAOYSA-N |
Product Overview
8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate (CAS 65853-65-8), with molecular formula C18H24O4S and molecular weight 336.14 g/mol. IUPAC: (8a-methyl-6-oxo-1,2,3,4,4a,5,7,8-octahydronaphthalen-1-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate
Property Insights of 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate
The XLogP value of 3.4 indicates that 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 4 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 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate?
The CAS number of 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate is 65853-65-8.
What is the molecular formula of 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate?
The molecular formula of 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate is C18H24O4S.
What is the molecular weight of 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate?
The molecular weight of 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate is 336.14 g/mol.
Where can I buy 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate?
You can request a quote for 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 8a-Methyl-6-oxodecahydronaphthalen-1-yl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.