![2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide structure](/static/products/4514/451468-37-4.webp)
2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide
TL;DR: 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide (CAS 451468-37-4) is a chemical compound with molecular formula C21H16ClN3O2S2 and molecular weight 441.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide
Also Known As: 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide, F0916-6598, 2-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide, 2-[(3-benzyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
| Molecular Formula | C21H16ClN3O2S2 |
|---|---|
| Molecular Weight | 441.04 g/mol |
| LogP | 4.8905 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.03726 |
| Heavy Atoms | 29 |
| Complexity | 1221.5637 |
Chemical Identifiers
| CAS Number | 451468-37-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)NC4=CC=CC=C4Cl |
Product Overview
2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide (CAS 451468-37-4), with molecular formula C21H16ClN3O2S2 and molecular weight 441.04 g/mol. IUPAC: 2-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide.
Chemical Property Profile of 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide
Property Insights of 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide
The XLogP value of 4.8905 indicates that 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide. Following Lipinski's Rule of Five, 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide has 1 hydrogen bond donor(s) and 5 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 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide?
The CAS number of 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide is 451468-37-4.
What is the molecular formula of 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide?
The molecular formula of 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide is C21H16ClN3O2S2.
What is the molecular weight of 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide?
The molecular weight of 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide is 441.04 g/mol.
Where can I buy 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide?
You can request a quote for 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2-chlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.