RefChem:448179
TL;DR: RefChem:448179 (CAS 587013-59-0) is a chemical compound with molecular formula C20H20FN3O2S2 and molecular weight 417.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-((3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide, 2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide, 2-((3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO(1)BENZOTHIENO(2,3-D)PYRIMIDIN-2-YL)SULFANYL)-N-(4-FLUOROPHENYL)ACETAMIDE, 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)-N-(4-fluorophenyl)acetamide, 2-(3-ethyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthi o))-N-(4-fluorophenyl)acetamide
| Molecular Formula | C20H20FN3O2S2 |
|---|---|
| Molecular Weight | 417.10 g/mol |
| LogP | 4.2266 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.09808 |
| Heavy Atoms | 28 |
| Complexity | 1089.5093 |
Chemical Identifiers
| CAS Number | 587013-59-0 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)F)SC4=C2CCCC4 |
Product Overview
RefChem:448179 (CAS 587013-59-0), with molecular formula C20H20FN3O2S2 and molecular weight 417.10 g/mol. IUPAC: 2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of RefChem:448179
Property Insights of RefChem:448179
The XLogP value of 4.2266 indicates that RefChem:448179 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:448179. Following Lipinski's Rule of Five, RefChem:448179 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:448179?
The CAS number of RefChem:448179 is 587013-59-0.
What is the molecular formula of RefChem:448179?
The molecular formula of RefChem:448179 is C20H20FN3O2S2.
What is the molecular weight of RefChem:448179?
The molecular weight of RefChem:448179 is 417.10 g/mol.
Where can I buy RefChem:448179?
You can request a quote for RefChem:448179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448179?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.