![Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate structure](/static/products/3792/379249-29-3.webp)
Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate
TL;DR: Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate (CAS 379249-29-3) is a chemical compound with molecular formula C22H17N3O3S2 and molecular weight 435.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate
Also Known As: methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate
| Molecular Formula | C22H17N3O3S2 |
|---|---|
| Molecular Weight | 435.07 g/mol |
| LogP | 4.8757 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.07114 |
| Heavy Atoms | 30 |
| Complexity | 1191.4697 |
Chemical Identifiers
| CAS Number | 379249-29-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4 |
Product Overview
Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate (CAS 379249-29-3), with molecular formula C22H17N3O3S2 and molecular weight 435.07 g/mol. IUPAC: methyl 4-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate
Property Insights of Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate
The XLogP value of 4.8757 indicates that Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]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-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate has 1 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 Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate?
The CAS number of Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate is 379249-29-3.
What is the molecular formula of Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate?
The molecular formula of Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate is C22H17N3O3S2.
What is the molecular weight of Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate?
The molecular weight of Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate is 435.07 g/mol.
Where can I buy Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate?
You can request a quote for Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-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 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[2-(6-phenylthiopheno[3,2-e]pyrimidin-4-ylthio)acetylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.