![2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide structure](/static/products/1456/145603-19-6.webp)
2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide
TL;DR: 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide (CAS 145603-19-6) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,5-benzothiazepin-4-one
Also Known As: 2,5-dimethyl-2,3,4,5-tetrahydro-1, 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide, 2,5-dimethyl-1,1-dioxo-2,3-dihydro-1, F0681-0076, 2,5-dimethyl-1,1-dioxo-2,3-dihydro-1lambda6,5-benzothiazepin-4-one
Technical Specifications
| Molecular Formula | C11H13NO3S |
| Molecular Weight | 239.06161 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.06161 Da |
| Heavy Atoms | 16 |
| Complexity | 385.0 |
| SMILES | CC1CC(=O)N(C2=CC=CC=C2S1(=O)=O)C |
| InChIKey | JMQAJKVDNYRQSJ-UHFFFAOYSA-N |
Chemical Property Profile of 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide
Property Insights of 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide?
The CAS number of 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide is 145603-19-6.
What is the molecular formula of 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide?
The molecular formula of 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide is C11H13NO3S.
What is the molecular weight of 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide?
The molecular weight of 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide is 239.06161 g/mol.
Where can I buy 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide?
You can request a quote for 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide?
Yes, CoreyChem provides custom synthesis services for 2,5-dimethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.