![5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide structure](/static/products/145/145603-20-9.png)
5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide
TL;DR: 5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide (CAS 145603-20-9) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,1-dioxo-2-phenyl-2,3-dihydro-1λ6,5-benzothiazepin-4-one
Also Known As: ChemDiv3_011267, IDI1_028825, 5-methyl-1,1-dioxo-2-phenyl-2,3-dihydro-1, F0681-0151, 5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide
| Molecular Formula | C16H15NO3S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 2.5681 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.07727 |
| Heavy Atoms | 21 |
| Complexity | 784.1792 |
Chemical Identifiers
| CAS Number | 145603-20-9 |
|---|---|
| SMILES | CN1C(=O)CC(S(=O)(=O)C2=CC=CC=C21)C3=CC=CC=C3 |
Product Overview
5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide (CAS 145603-20-9), with molecular formula C16H15NO3S and molecular weight 301.08 g/mol. IUPAC: 5-methyl-1,1-dioxo-2-phenyl-2,3-dihydro-1λ6,5-benzothiazepin-4-one.
Chemical Property Profile of 5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide
Property Insights of 5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide
The XLogP value of 2.5681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide. With a topological polar surface area (TPSA) of 54.45 Ų, 5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-2-phenyl-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
Frequently Asked Questions
What is the CAS number of 5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide?
The CAS number of 5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide is 145603-20-9.
What is the molecular formula of 5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide?
The molecular formula of 5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide is C16H15NO3S.
What is the molecular weight of 5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide?
The molecular weight of 5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide is 301.08 g/mol.
Where can I buy 5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide?
You can request a quote for 5-methyl-2-phenyl-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 5-methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-2-phenyl-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.