![2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide structure](/static/products/488/488135-65-5.png)
2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide
TL;DR: 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide (CAS 488135-65-5) is a chemical compound with molecular formula C22H16Cl2N4O4S2 and molecular weight 534.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
Also Known As: 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide, 2-[3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide, 2-{[3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
| Molecular Formula | C22H16Cl2N4O4S2 |
|---|---|
| Molecular Weight | 534.00 g/mol |
| LogP | 6.00984 |
| Topological Polar Surface Area | 107.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.999 |
| Heavy Atoms | 34 |
| Complexity | 1517.0548 |
Chemical Identifiers
| CAS Number | 488135-65-5 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C4=CC(=C(C=C4)Cl)Cl)C |
Product Overview
2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide (CAS 488135-65-5), with molecular formula C22H16Cl2N4O4S2 and molecular weight 534.00 g/mol. IUPAC: 2-[3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide.
Chemical Property Profile of 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide
Property Insights of 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide
The XLogP value of 6.00984 indicates that 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide 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 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide?
The CAS number of 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide is 488135-65-5.
What is the molecular formula of 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide?
The molecular formula of 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide is C22H16Cl2N4O4S2.
What is the molecular weight of 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide?
The molecular weight of 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide is 534.00 g/mol.
Where can I buy 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide?
You can request a quote for 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)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-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.