RefChem:827386
TL;DR: RefChem:827386 (CAS 618432-32-9) is a chemical compound with molecular formula C27H23ClF3N3O3S2 and molecular weight 593.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: N-(4-Chloro-3-(trifluoromethyl)phenyl)-2-((3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, 638-403-4, N-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)-2-((3-(4-ETHOXYPHENYL)-4-OXO-3,4, 5,6,7,8-HEXAHYDRO(1)BENZOTHIENO(2,3-D)PYRIMIDIN-2-YL)SULFANYL)ACETAMIDE, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(4-ethoxyphenyl)-4-oxo(3,5,6,7,8-p entahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide
| Molecular Formula | C27H23ClF3N3O3S2 |
|---|---|
| Molecular Weight | 593.08 g/mol |
| LogP | 7.1277 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 593.08215 |
| Heavy Atoms | 39 |
| Complexity | 1600.5935 |
Chemical Identifiers
| CAS Number | 618432-32-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)SC5=C3CCCC5 |
Product Overview
RefChem:827386 (CAS 618432-32-9), with molecular formula C27H23ClF3N3O3S2 and molecular weight 593.08 g/mol. IUPAC: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:827386
Property Insights of RefChem:827386
The XLogP value of 7.1277 indicates that RefChem:827386 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:827386. Following Lipinski's Rule of Five, RefChem:827386 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:827386?
The CAS number of RefChem:827386 is 618432-32-9.
What is the molecular formula of RefChem:827386?
The molecular formula of RefChem:827386 is C27H23ClF3N3O3S2.
What is the molecular weight of RefChem:827386?
The molecular weight of RefChem:827386 is 593.08 g/mol.
Where can I buy RefChem:827386?
You can request a quote for RefChem:827386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:827386?
Yes, KEHONG BIO provides custom synthesis services for RefChem:827386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.