![methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate structure](/static/products/4887/488718-98-5.webp)
methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate
TL;DR: methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate (CAS 488718-98-5) is a chemical compound with molecular formula C26H23N3O4S2 and molecular weight 505.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate, methyl 2-({[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate, methyl 2-(2-((4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)benzoate, methyl 2-[[2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C26H23N3O4S2 |
|---|---|
| Molecular Weight | 505.11 g/mol |
| LogP | 4.8434 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.113 |
| Heavy Atoms | 35 |
| Complexity | 1477.4812 |
Chemical Identifiers
| CAS Number | 488718-98-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate (CAS 488718-98-5), with molecular formula C26H23N3O4S2 and molecular weight 505.11 g/mol. IUPAC: methyl 2-[[2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate
Property Insights of methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate
The XLogP value of 4.8434 indicates that methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate. Following Lipinski's Rule of Five, methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate?
The CAS number of methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate is 488718-98-5.
What is the molecular formula of methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate?
The molecular formula of methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate is C26H23N3O4S2.
What is the molecular weight of methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate?
The molecular weight of methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate is 505.11 g/mol.
Where can I buy methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate?
You can request a quote for methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)acetylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.