7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate
TL;DR: 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate (CAS 327078-60-4) is a chemical compound with molecular formula C21H14O4S and molecular weight 362.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] benzoate
Also Known As: BIM-0030767.P001, UPCMLD0ENAT0504-3188:001, 7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate, 2-oxo-7-(p-tolyl)benzo[d][1,3]oxathiol-5-yl benzoate, [7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] benzoate
| Molecular Formula | C21H14O4S |
|---|---|
| Molecular Weight | 362.06 g/mol |
| LogP | 5.04912 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.06128 |
| Heavy Atoms | 26 |
| Complexity | 1138.3236 |
Chemical Identifiers
| CAS Number | 327078-60-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C3C(=CC(=C2)OC(=O)C4=CC=CC=C4)SC(=O)O3 |
Product Overview
7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate (CAS 327078-60-4), with molecular formula C21H14O4S and molecular weight 362.06 g/mol. IUPAC: [7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] benzoate.
Chemical Property Profile of 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate
Property Insights of 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate
The XLogP value of 5.04912 indicates that 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate?
The CAS number of 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate is 327078-60-4.
What is the molecular formula of 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate?
The molecular formula of 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate is C21H14O4S.
What is the molecular weight of 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate?
The molecular weight of 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate is 362.06 g/mol.
Where can I buy 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate?
You can request a quote for 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-Methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.