1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide
TL;DR: 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide (CAS 3648-94-0) is a chemical compound with molecular formula C10H11NO3S and molecular weight 225.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-1,1-dioxo-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one
Also Known As: 7-methyl-1,1-dioxo-3,5-dihydro-2H-1, 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide, 2,3-Dihydro-7-methyl-1,5-benzothiazepin-4-(5H)-one,1,1-dioxide, 2,3-Dihydro-7-methyl-1,5-benzothiazepin-4 -one1,1-dioxide, 7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5h)-one 1,1-dioxide
| Molecular Formula | C10H11NO3S |
|---|---|
| Molecular Weight | 225.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.04596 |
| Heavy Atoms | 15 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 3648-94-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)S(=O)(=O)CCC(=O)N2 |
| InChIKey | GASHTLYMYMLZPZ-UHFFFAOYSA-N |
Product Overview
1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide (CAS 3648-94-0), with molecular formula C10H11NO3S and molecular weight 225.05 g/mol. IUPAC: 7-methyl-1,1-dioxo-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one.
Chemical Property Profile of 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide
Property Insights of 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide. Following Lipinski's Rule of Five, 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 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 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide?
The CAS number of 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide is 3648-94-0.
What is the molecular formula of 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide?
The molecular formula of 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide is C10H11NO3S.
What is the molecular weight of 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide?
The molecular weight of 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide is 225.05 g/mol.
Where can I buy 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide?
You can request a quote for 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 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 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Benzothiazepin-4(5H)one, 2,3-dihydro-7-methyl-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.