2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)-
TL;DR: 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)- (CAS 37442-10-7) is a chemical compound with molecular formula C17H15NO5S and molecular weight 345.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-sulfanylidene-1,3-benzoxazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
Also Known As: BAS 00096968, 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)-, 2(3H)-Benzoxazolethione,3-(3,4,5-trimethoxybenzoyl), (2-sulfanylidene-1,3-benzoxazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone, (2-Thioxo-benzooxazol-3-yl)-(3,4,5-trimethoxy-phenyl)-methanone
| Molecular Formula | C17H15NO5S |
|---|---|
| Molecular Weight | 345.07 g/mol |
| LogP | 3.67809 |
| Topological Polar Surface Area | 62.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.0671 |
| Heavy Atoms | 24 |
| Complexity | 947.5116 |
Chemical Identifiers
| CAS Number | 37442-10-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=CC=CC=C3OC2=S |
Product Overview
2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)- (CAS 37442-10-7), with molecular formula C17H15NO5S and molecular weight 345.07 g/mol. IUPAC: (2-sulfanylidene-1,3-benzoxazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)-
Property Insights of 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)-
The XLogP value of 3.67809 indicates that 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)-. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)- has 0 hydrogen bond donor(s) and 6 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 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)-?
The CAS number of 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)- is 37442-10-7.
What is the molecular formula of 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)-?
The molecular formula of 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)- is C17H15NO5S.
What is the molecular weight of 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)-?
The molecular weight of 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)- is 345.07 g/mol.
Where can I buy 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)-?
You can request a quote for 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolethione, 3-(3,4,5-trimethoxybenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.