RefChem:825098
TL;DR: RefChem:825098 (CAS 577960-68-0) is a chemical compound with molecular formula C20H20BrN3O2S2 and molecular weight 477.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromophenyl)-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: N-(2-Bromophenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(2-bromophenyl)-2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, 638-188-7, N-(2-Bromophenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamide, N-(2-bromophenyl)-2-({4-ethyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide
| Molecular Formula | C20H20BrN3O2S2 |
|---|---|
| Molecular Weight | 477.02 g/mol |
| LogP | 4.85 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.01804 |
| Heavy Atoms | 28 |
| Complexity | 1106.7593 |
Chemical Identifiers
| CAS Number | 577960-68-0 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3Br)SC4=C2CCCC4 |
Product Overview
RefChem:825098 (CAS 577960-68-0), with molecular formula C20H20BrN3O2S2 and molecular weight 477.02 g/mol. IUPAC: N-(2-bromophenyl)-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:825098
Property Insights of RefChem:825098
The XLogP value of 4.85 indicates that RefChem:825098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:825098. Following Lipinski's Rule of Five, RefChem:825098 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:825098?
The CAS number of RefChem:825098 is 577960-68-0.
What is the molecular formula of RefChem:825098?
The molecular formula of RefChem:825098 is C20H20BrN3O2S2.
What is the molecular weight of RefChem:825098?
The molecular weight of RefChem:825098 is 477.02 g/mol.
Where can I buy RefChem:825098?
You can request a quote for RefChem:825098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:825098?
Yes, KEHONG BIO provides custom synthesis services for RefChem:825098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.