![methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate structure](/static/products/7699/769925-19-1.webp)
methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate
TL;DR: methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate (CAS 769925-19-1) is a chemical compound with molecular formula C23H19N3O3S2 and molecular weight 449.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]amino]benzoate
Also Known As: methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate, methyl 4-(2-((5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoate, methyl 4-(2-{[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate, methyl 4-[[2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]amino]benzoate, methyl 4-{2-[5-(4-methylphenyl)thiopheno[3,2-e]pyrimidin-4-ylthio]acetylamino} benzoate
| Molecular Formula | C23H19N3O3S2 |
|---|---|
| Molecular Weight | 449.09 g/mol |
| LogP | 5.18412 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.0868 |
| Heavy Atoms | 31 |
| Complexity | 1235.409 |
Chemical Identifiers
| CAS Number | 769925-19-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)OC |
Product Overview
methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate (CAS 769925-19-1), with molecular formula C23H19N3O3S2 and molecular weight 449.09 g/mol. IUPAC: methyl 4-[[2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate
Property Insights of methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate
The XLogP value of 5.18412 indicates that methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]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 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate?
The CAS number of methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate is 769925-19-1.
What is the molecular formula of methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate?
The molecular formula of methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate is C23H19N3O3S2.
What is the molecular weight of methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate?
The molecular weight of methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate is 449.09 g/mol.
Where can I buy methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate?
You can request a quote for methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.