Oxathiin carboxanilide
TL;DR: Oxathiin carboxanilide (CAS 135812-04-3) is a chemical compound with molecular formula C16H18ClNO4S and molecular weight 355.0645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate
Also Known As: Oxathiin carboxanilide, UC84, 1-methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate, NCI60_005031, Isopropyl 2-chloro-5-[(2-methyl-5,6-dihydro-1,4-oxathiin-3-carbonyl)amino]benzoate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H18ClNO4S |
| Molecular Weight | 355.0645 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.0645 Da |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
| SMILES | CC1=C(SCCO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C |
| InChIKey | FMQGUMRNTBJHEA-UHFFFAOYSA-N |
Chemical Property Profile of Oxathiin carboxanilide
Property Insights of Oxathiin carboxanilide
The XLogP value of 3.4 indicates that Oxathiin carboxanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxathiin carboxanilide. Following Lipinski's Rule of Five, Oxathiin carboxanilide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Oxathiin carboxanilide?
The CAS number of Oxathiin carboxanilide is 135812-04-3.
What is the molecular formula of Oxathiin carboxanilide?
The molecular formula of Oxathiin carboxanilide is C16H18ClNO4S.
What is the molecular weight of Oxathiin carboxanilide?
The molecular weight of Oxathiin carboxanilide is 355.0645 g/mol.
Where can I buy Oxathiin carboxanilide?
You can request a quote for Oxathiin carboxanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Oxathiin carboxanilide?
Yes, CoreyChem provides custom synthesis services for Oxathiin carboxanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.