Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate
TL;DR: Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate (CAS 116468-63-4) is a chemical compound with molecular formula C17H24O3S and molecular weight 308.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl 4-methylbenzenesulfonate
Also Known As: decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate, decahydronaphthalen-1-yl 4-methylbenzenesulfonate, 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl 4-methylbenzenesulfonate, 1-Naphthol,decahydro-, p-toluenesulfonate, stereoisomer (8CI), 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl 4-methylbenze
| Molecular Formula | C17H24O3S |
|---|---|
| Molecular Weight | 308.14 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.14462 |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 116468-63-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC3C2CCCC3 |
| InChIKey | NESBIDLAHABETR-UHFFFAOYSA-N |
Product Overview
Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate (CAS 116468-63-4), with molecular formula C17H24O3S and molecular weight 308.14 g/mol. IUPAC: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl 4-methylbenzenesulfonate.
Chemical Property Profile of Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate
Property Insights of Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate
The XLogP value of 4.9 indicates that Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate has 0 hydrogen bond donor(s) and 3 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 Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate?
The CAS number of Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate is 116468-63-4.
What is the molecular formula of Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate?
The molecular formula of Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate is C17H24O3S.
What is the molecular weight of Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate?
The molecular weight of Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate is 308.14 g/mol.
Where can I buy Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate?
You can request a quote for Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for Decahydronaphthalen-1-yl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.