![methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate structure](/static/products/4403/440326-59-0.webp)
methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
TL;DR: methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate (CAS 440326-59-0) is a chemical compound with molecular formula C23H19N3O4S2 and molecular weight 465.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate, F6609-0415, methyl 2-[[2-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate, methyl 2-({[(3-benzyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
| Molecular Formula | C23H19N3O4S2 |
|---|---|
| Molecular Weight | 465.08 g/mol |
| LogP | 4.0237 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.0817 |
| Heavy Atoms | 32 |
| Complexity | 1332.0865 |
Chemical Identifiers
| CAS Number | 440326-59-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC=C3 |
Product Overview
methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate (CAS 440326-59-0), with molecular formula C23H19N3O4S2 and molecular weight 465.08 g/mol. IUPAC: methyl 2-[[2-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Property Insights of methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
The XLogP value of 4.0237 indicates that methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]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-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate. Following Lipinski's Rule of Five, methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]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 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate?
The CAS number of methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate is 440326-59-0.
What is the molecular formula of methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate?
The molecular formula of methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate is C23H19N3O4S2.
What is the molecular weight of methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate?
The molecular weight of methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate is 465.08 g/mol.
Where can I buy methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate?
You can request a quote for methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]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-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.