RefChem:448079
TL;DR: RefChem:448079 (CAS 477318-96-0) is a chemical compound with molecular formula C27H24F3N3O3S2 and molecular weight 559.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: SALOR-INT L228052-1EA, 2-((3-(4-Ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-((3-(4-Ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-D)P yrimidin-2-YL)sulfanyl)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[3-(4-ethoxyphenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)]-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C27H24F3N3O3S2 |
|---|---|
| Molecular Weight | 559.12 g/mol |
| LogP | 6.4743 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 559.1211 |
| Heavy Atoms | 38 |
| Complexity | 1545.6871 |
Chemical Identifiers
| CAS Number | 477318-96-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=CC(=C4)C(F)(F)F)SC5=C3CCCC5 |
Product Overview
RefChem:448079 (CAS 477318-96-0), with molecular formula C27H24F3N3O3S2 and molecular weight 559.12 g/mol. IUPAC: 2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of RefChem:448079
Property Insights of RefChem:448079
The XLogP value of 6.4743 indicates that RefChem:448079 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448079. Following Lipinski's Rule of Five, RefChem:448079 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 RefChem:448079?
The CAS number of RefChem:448079 is 477318-96-0.
What is the molecular formula of RefChem:448079?
The molecular formula of RefChem:448079 is C27H24F3N3O3S2.
What is the molecular weight of RefChem:448079?
The molecular weight of RefChem:448079 is 559.12 g/mol.
Where can I buy RefChem:448079?
You can request a quote for RefChem:448079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448079?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.