4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate
TL;DR: 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate (CAS 381702-08-5) is a chemical compound with molecular formula C24H20O8S and molecular weight 468.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3,4,5-trimethoxybenzoate
Also Known As: 4-(4-methoxyphenyl)-2-oxobenzo[d][1,3]oxathiol-5-yl 3,4,5-trimethoxybenzoate, 4-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate, [4-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3,4,5-trimethoxybenzoate, 4-(4-METHOXYPHENYL)-2-OXO-2H-1,3-BENZOXATHIOL-5-YL 3,4,5-TRIMETHOXYBENZOATE
| Molecular Formula | C24H20O8S |
|---|---|
| Molecular Weight | 468.09 g/mol |
| LogP | 4.7751 |
| Topological Polar Surface Area | 93.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.0879 |
| Heavy Atoms | 33 |
| Complexity | 1342.736 |
Chemical Identifiers
| CAS Number | 381702-08-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C=CC3=C2SC(=O)O3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate (CAS 381702-08-5), with molecular formula C24H20O8S and molecular weight 468.09 g/mol. IUPAC: [4-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate
Property Insights of 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate
The XLogP value of 4.7751 indicates that 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 9 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 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate?
The CAS number of 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate is 381702-08-5.
What is the molecular formula of 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate?
The molecular formula of 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate is C24H20O8S.
What is the molecular weight of 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate?
The molecular weight of 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate is 468.09 g/mol.
Where can I buy 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate?
You can request a quote for 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.