![2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide structure](/static/products/848/848280-17-1.png)
2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide
TL;DR: 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide (CAS 848280-17-1) is a chemical compound with molecular formula C22H21N5O3S3 and molecular weight 499.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methoxyphenyl)-11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide, 2-[[3-(4-methoxyphenyl)-7-methyl-4-oxidanylidene-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)ethanamide, 2-[[3-(4-methoxyphenyl)-7-methyl-4-oxo-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide, 2-[[3-(4-methoxyphenyl)-7-methyl-4-oxo-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl]thio]-N-(2-thiazolyl)acetamide, 2-[[4-keto-3-(4-methoxyphenyl)-7-methyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl]thio]-N-thiazol-2-yl-acetamide
| Molecular Formula | C22H21N5O3S3 |
|---|---|
| Molecular Weight | 499.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.08066 |
| Heavy Atoms | 33 |
| Complexity | 778.0 |
Chemical Identifiers
| CAS Number | 848280-17-1 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=NC=CS4)C5=CC=C(C=C5)OC |
| InChIKey | LPLVEOKBZMCNNV-UHFFFAOYSA-N |
Product Overview
2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide (CAS 848280-17-1), with molecular formula C22H21N5O3S3 and molecular weight 499.08 g/mol. IUPAC: 2-[[4-(4-methoxyphenyl)-11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide
Property Insights of 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide
The XLogP value of 3.5 indicates that 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide 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 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide?
The CAS number of 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide is 848280-17-1.
What is the molecular formula of 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide?
The molecular formula of 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide is C22H21N5O3S3.
What is the molecular weight of 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide?
The molecular weight of 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide is 499.08 g/mol.
Where can I buy 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide?
You can request a quote for 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)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-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(4-methoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.