![3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide structure](/static/products/895/895939-79-4.png)
3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide
TL;DR: 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide (CAS 895939-79-4) is a chemical compound with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide
Also Known As: 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide, (3,5-dimethylisoxazol-4-yl)-N-(2-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-3-yl))carboxamide, 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1,2-oxazole-4-carboxamide
| Molecular Formula | C17H18N4O3S |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 2.63396 |
| Topological Polar Surface Area | 90.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.10995 |
| Heavy Atoms | 25 |
| Complexity | 1040.698 |
Chemical Identifiers
| CAS Number | 895939-79-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)C(=O)NN2C(=NC3=C(C2=O)C4=C(S3)CCCC4)C |
Product Overview
3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide (CAS 895939-79-4), with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol. IUPAC: 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide
Property Insights of 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide
The XLogP value of 2.63396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide. The TPSA of 90.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide. Following Lipinski's Rule of Five, 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide has 1 hydrogen bond donor(s) and 6 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 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide?
The CAS number of 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide is 895939-79-4.
What is the molecular formula of 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide?
The molecular formula of 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide is C17H18N4O3S.
What is the molecular weight of 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide?
The molecular weight of 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide is 358.11 g/mol.
Where can I buy 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide?
You can request a quote for 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1,2-oxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.