Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate
TL;DR: Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate (CAS 89790-30-7) is a chemical compound with molecular formula C16H24O5S and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-(4-methylphenyl)sulfonyloxyoctanoate
Also Known As: methyl 8-(4-methylphenyl)sulfonyloxyoctanoate, Octanoic acid, 8-[[(4-methylphenyl)sulfonyl]oxy]-, methyl ester, Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate, Methyl 8-([(4-methylphenyl)sulfonyl]oxy)octanoate, Methyl 8-[[(4-methylphenyl)sulfonyl]oxy]octanoate
| Molecular Formula | C16H24O5S |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 328.13443 |
| Heavy Atoms | 22 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 89790-30-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCC(=O)OC |
| InChIKey | ZJYPTOIUONGQIX-UHFFFAOYSA-N |
Product Overview
Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate (CAS 89790-30-7), with molecular formula C16H24O5S and molecular weight 328.13 g/mol. IUPAC: methyl 8-(4-methylphenyl)sulfonyloxyoctanoate.
Chemical Property Profile of Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate
Property Insights of Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate
The XLogP value of 3.5 indicates that Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate. Following Lipinski's Rule of Five, Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate has 0 hydrogen bond donor(s) and 5 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 Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate?
The CAS number of Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate is 89790-30-7.
What is the molecular formula of Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate?
The molecular formula of Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate is C16H24O5S.
What is the molecular weight of Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate?
The molecular weight of Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate is 328.13 g/mol.
Where can I buy Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate?
You can request a quote for Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 8-(((4-methylphenyl)sulfonyl)oxy)octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.