Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)-
TL;DR: Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)- (CAS 135718-61-5) is a chemical compound with molecular formula C24H21N3O3S2 and molecular weight 463.10245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)carbamoyl]benzoic acid
Also Known As: Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)-, 2-({3-phenyl-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-4-yl}carbamoyl)benzoic acid, 2-[(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)carbamoyl]benzoic acid, 2-{Hydroxy[(4-phenyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}benzoic acid, 3,4,5,6,7,8-Hexahydro-3-(2-carboxybenzoylamino)-4-phenyl[1]benzothieno[2,3-d]pyrimidine-2-thiol
Technical Specifications
| Molecular Formula | C24H21N3O3S2 |
| Molecular Weight | 463.10245 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 463.10245 Da |
| Heavy Atoms | 32 |
| Complexity | 744.0 |
| SMILES | C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3C4=CC=CC=C4)NC(=O)C5=CC=CC=C5C(=O)O |
| InChIKey | GMDGLPZGWSAXOD-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)-
Property Insights of Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)-
The XLogP value of 4.9 indicates that Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)- has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)-?
The CAS number of Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)- is 135718-61-5.
What is the molecular formula of Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)-?
The molecular formula of Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)- is C24H21N3O3S2.
What is the molecular weight of Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)-?
The molecular weight of Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)- is 463.10245 g/mol.
Where can I buy Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)-?
You can request a quote for Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-(((1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)amino)carbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.