![N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide structure](/static/products/5628/562831-47-4.webp)
N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
TL;DR: N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide (CAS 562831-47-4) is a chemical compound with molecular formula C25H23N3O2S2 and molecular weight 461.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-phenylmethoxyphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
Also Known As: N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide, N-(4-(benzyloxy)phenyl)-2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide, N-(4-phenylmethoxyphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide, N-[4-(benzyloxy)phenyl]-2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}acetamide, N-[4-(phenylmethoxy)phenyl]-2-(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrim idin-4-ylthio)acetamide
| Molecular Formula | C25H23N3O2S2 |
|---|---|
| Molecular Weight | 461.12 g/mol |
| LogP | 5.8799 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.12317 |
| Heavy Atoms | 32 |
| Complexity | 1223.4146 |
Chemical Identifiers
| CAS Number | 562831-47-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)NC4=CC=C(C=C4)OCC5=CC=CC=C5 |
Product Overview
N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide (CAS 562831-47-4), with molecular formula C25H23N3O2S2 and molecular weight 461.12 g/mol. IUPAC: N-(4-phenylmethoxyphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide.
Chemical Property Profile of N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
Property Insights of N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
The XLogP value of 5.8799 indicates that N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide. Following Lipinski's Rule of Five, N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide?
The CAS number of N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide is 562831-47-4.
What is the molecular formula of N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide?
The molecular formula of N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide is C25H23N3O2S2.
What is the molecular weight of N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide?
The molecular weight of N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide is 461.12 g/mol.
Where can I buy N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide?
You can request a quote for N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(benzyloxy)phenyl]-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.