![Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate structure](/static/products/4960/496027-91-9.webp)
Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate
TL;DR: Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate (CAS 496027-91-9) is a chemical compound with molecular formula C20H19N3O5S2 and molecular weight 445.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate
Also Known As: AF-399/40959355, diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate, F1174-3210, 1,3-diethyl 5-(2-{thieno[2,3-d]pyrimidin-4-ylsulfanyl}acetamido)benzene-1,3-dicarboxylate, diethyl 5-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate
| Molecular Formula | C20H19N3O5S2 |
|---|---|
| Molecular Weight | 445.08 g/mol |
| LogP | 3.7755 |
| Topological Polar Surface Area | 107.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.0766 |
| Heavy Atoms | 30 |
| Complexity | 1046.9941 |
Chemical Identifiers
| CAS Number | 496027-91-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=NC3=C2C=CS3)C(=O)OCC |
Product Overview
Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate (CAS 496027-91-9), with molecular formula C20H19N3O5S2 and molecular weight 445.08 g/mol. IUPAC: diethyl 5-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate
Property Insights of Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate
The XLogP value of 3.7755 indicates that Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate. Following Lipinski's Rule of Five, Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate has 1 hydrogen bond donor(s) and 9 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 Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate?
The CAS number of Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate is 496027-91-9.
What is the molecular formula of Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate?
The molecular formula of Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate is C20H19N3O5S2.
What is the molecular weight of Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate?
The molecular weight of Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate is 445.08 g/mol.
Where can I buy Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate?
You can request a quote for Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5-(2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.