Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)-
TL;DR: Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)- (CAS 35624-96-5) is a chemical compound with molecular formula C13H17NO4S and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-oxazolidin-2-yl-(3,4,5-trimethoxyphenyl)methanethione
Also Known As: 2- isoxazolidine, 2-(3,4,5-Trimethoxythiobenzoyl)isoxazolidine, 2-Isopropylamino-1-nitronaphthalin, ISOXAZOLIDINE, 2-(3,4,5-TRIMETHOXYTHIOBENZOYL)-, 1,2-oxazolidin-2-yl-(3,4,5-trimethoxyphenyl)methanethione
| Molecular Formula | C13H17NO4S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.08783 |
| Heavy Atoms | 19 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 35624-96-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=S)N2CCCO2 |
| InChIKey | LCRAPMXTTIIICC-UHFFFAOYSA-N |
Product Overview
Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)- (CAS 35624-96-5), with molecular formula C13H17NO4S and molecular weight 283.09 g/mol. IUPAC: 1,2-oxazolidin-2-yl-(3,4,5-trimethoxyphenyl)methanethione.
Chemical Property Profile of Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)-
Property Insights of Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)-. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)-. Following Lipinski's Rule of Five, Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)- 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 Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)-?
The CAS number of Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)- is 35624-96-5.
What is the molecular formula of Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)-?
The molecular formula of Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)- is C13H17NO4S.
What is the molecular weight of Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)-?
The molecular weight of Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)- is 283.09 g/mol.
Where can I buy Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)-?
You can request a quote for Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazolidine, 2-(3,4,5-trimethoxythiobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.