RefChem:825165
TL;DR: RefChem:825165 (CAS 477330-81-7) is a chemical compound with molecular formula C26H21ClF3N3O3S2 and molecular weight 579.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: N-(2-Chloro-5-(trifluoromethyl)phenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, 650-492-1, N-(2-Chloro-5-(trifluoromethyl)phenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C26H21ClF3N3O3S2 |
|---|---|
| Molecular Weight | 579.07 g/mol |
| LogP | 6.7376 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 579.06647 |
| Heavy Atoms | 38 |
| Complexity | 1583.3795 |
Chemical Identifiers
| CAS Number | 477330-81-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)SC5=C3CCCC5 |
Product Overview
RefChem:825165 (CAS 477330-81-7), with molecular formula C26H21ClF3N3O3S2 and molecular weight 579.07 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:825165
Property Insights of RefChem:825165
The XLogP value of 6.7376 indicates that RefChem:825165 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:825165. Following Lipinski's Rule of Five, RefChem:825165 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:825165?
The CAS number of RefChem:825165 is 477330-81-7.
What is the molecular formula of RefChem:825165?
The molecular formula of RefChem:825165 is C26H21ClF3N3O3S2.
What is the molecular weight of RefChem:825165?
The molecular weight of RefChem:825165 is 579.07 g/mol.
Where can I buy RefChem:825165?
You can request a quote for RefChem:825165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:825165?
Yes, KEHONG BIO provides custom synthesis services for RefChem:825165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.