![5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide structure](/static/products/835/835895-01-7.png)
5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide
TL;DR: 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide (CAS 835895-01-7) is a chemical compound with molecular formula C20H23ClN4O4S3 and molecular weight 514.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide, 5-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
| Molecular Formula | C20H23ClN4O4S3 |
|---|---|
| Molecular Weight | 514.06 g/mol |
| LogP | 3.2074 |
| Topological Polar Surface Area | 118.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 514.057 |
| Heavy Atoms | 32 |
| Complexity | 1181.7478 |
Chemical Identifiers
| CAS Number | 835895-01-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)NC3CCS(=O)(=O)C3)NC(=O)C4=NC(=NC=C4Cl)SC |
Product Overview
5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide (CAS 835895-01-7), with molecular formula C20H23ClN4O4S3 and molecular weight 514.06 g/mol. IUPAC: 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide
Property Insights of 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide
The XLogP value of 3.2074 indicates that 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide. Following Lipinski's Rule of Five, 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide?
The CAS number of 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide is 835895-01-7.
What is the molecular formula of 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide?
The molecular formula of 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide is C20H23ClN4O4S3.
What is the molecular weight of 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide?
The molecular weight of 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide is 514.06 g/mol.
Where can I buy 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide?
You can request a quote for 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.