![2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide structure](/static/products/487/487026-33-5.png)
2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide
TL;DR: 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide (CAS 487026-33-5) is a chemical compound with molecular formula C25H23ClN4O2S3 and molecular weight 542.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide, 2-[(3-ALLYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-[5-(3-CHLOROBENZYL)-1,3-THIAZOL-2-YL]ACETAMIDE, N-[5-(3-chlorobenzyl)-1,3-thiazol-2-yl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C25H23ClN4O2S3 |
|---|---|
| Molecular Weight | 542.07 g/mol |
| LogP | 5.9543 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 542.06714 |
| Heavy Atoms | 35 |
| Complexity | 1473.3934 |
Chemical Identifiers
| CAS Number | 487026-33-5 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)Cl)SC5=C2CCCC5 |
Product Overview
2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide (CAS 487026-33-5), with molecular formula C25H23ClN4O2S3 and molecular weight 542.07 g/mol. IUPAC: N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide
Property Insights of 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide
The XLogP value of 5.9543 indicates that 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)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-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide?
The CAS number of 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide is 487026-33-5.
What is the molecular formula of 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide?
The molecular formula of 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide is C25H23ClN4O2S3.
What is the molecular weight of 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide?
The molecular weight of 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide is 542.07 g/mol.
Where can I buy 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide?
You can request a quote for 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)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-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(5-(3-chlorobenzyl)thiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.