![N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide structure](/static/products/7910/791092-35-8.webp)
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
TL;DR: N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide (CAS 791092-35-8) is a chemical compound with molecular formula C18H23N3O3S3 and molecular weight 425.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Also Known As: N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide, N-(1,1-Dioxo-1lambda~6~-thiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
| Molecular Formula | C18H23N3O3S3 |
|---|---|
| Molecular Weight | 425.09 g/mol |
| LogP | 2.5537 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.09015 |
| Heavy Atoms | 27 |
| Complexity | 986.38855 |
Chemical Identifiers
| CAS Number | 791092-35-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)N(C)C4CCS(=O)(=O)C4 |
Product Overview
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide (CAS 791092-35-8), with molecular formula C18H23N3O3S3 and molecular weight 425.09 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Property Insights of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
The XLogP value of 2.5537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide. The TPSA of 80.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide has 0 hydrogen bond donor(s) and 7 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 N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
The CAS number of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide is 791092-35-8.
What is the molecular formula of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
The molecular formula of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide is C18H23N3O3S3.
What is the molecular weight of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
The molecular weight of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide is 425.09 g/mol.
Where can I buy N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
You can request a quote for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.