1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide
TL;DR: 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide (CAS 68093-97-0) is a chemical compound with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-6-oxo-5,11-dihydropyrimido[5,4-c][1,5]benzothiazepine-2,4-dione
Also Known As: 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide, 1,3-dimethyl-6-oxo-5,11-dihydropyrimido[5,4-c][1,5]benzothia, 1,3-dimethyl-6-oxo-5,11-dihydropyrimido[5,4-c][1,5]benzothiazepine-2,4-dione, 1,3-Dimethyl-5,11-dihydropyrimido[5,4-c][1,5]benzothiazepine-2,4(1H,3H)-dione 6-oxide, Pyrimido[5,4-c][1,5]benzothiazepine-2,4(1H,3H)-dione,5,11-dihydro-1,3-dimethyl-, 6-oxide
| Molecular Formula | C13H13N3O3S |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 291.06775 |
| Heavy Atoms | 20 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 68093-97-0 |
|---|---|
| SMILES | CN1C2=C(CS(=O)C3=CC=CC=C3N2)C(=O)N(C1=O)C |
| InChIKey | NNLHJGLRZVDLKG-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide (CAS 68093-97-0), with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol. IUPAC: 1,3-dimethyl-6-oxo-5,11-dihydropyrimido[5,4-c][1,5]benzothiazepine-2,4-dione.
Chemical Property Profile of 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide
Property Insights of 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide
The XLogP value of -0.1 indicates that 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide. Following Lipinski's Rule of Five, 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide 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
Frequently Asked Questions
What is the CAS number of 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide?
The CAS number of 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide is 68093-97-0.
What is the molecular formula of 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide?
The molecular formula of 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide is C13H13N3O3S.
What is the molecular weight of 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide?
The molecular weight of 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide is 291.07 g/mol.
Where can I buy 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide?
You can request a quote for 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5,11-dihydropyrimido(5,4-c)(1,5)benzothiazepine-2,4(1H,3H)-dione 6-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.