![2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide structure](/static/products/294/29488-99-1.png)
2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide
TL;DR: 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide (CAS 29488-99-1) is a chemical compound with molecular formula C9H9NO3S and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one
Also Known As: 1,1-dioxo-3,5-dihydro-2H-1, 2,3,4,5-tetrahydro-1lambda6,5-benzothiazepine-1,1,4-trione, 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide, 1,1-dioxo-3,5-dihydro-2H-1lambda6,5-benzothiazepin-4-one, F0681-0075
| Molecular Formula | C9H9NO3S |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | 0.8025 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.03032 |
| Heavy Atoms | 14 |
| Complexity | 478.58536 |
Chemical Identifiers
| CAS Number | 29488-99-1 |
|---|---|
| SMILES | C1CS(=O)(=O)C2=CC=CC=C2NC1=O |
Product Overview
2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide (CAS 29488-99-1), with molecular formula C9H9NO3S and molecular weight 211.03 g/mol. IUPAC: 1,1-dioxo-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one.
Chemical Property Profile of 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide
Property Insights of 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide
The XLogP value of 0.8025 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide has 1 hydrogen bond donor(s) and 3 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 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide?
The CAS number of 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide is 29488-99-1.
What is the molecular formula of 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide?
The molecular formula of 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide is C9H9NO3S.
What is the molecular weight of 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide?
The molecular weight of 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide is 211.03 g/mol.
Where can I buy 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide?
You can request a quote for 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 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.