RefChem:825310
TL;DR: RefChem:825310 (CAS 587012-70-2) is a chemical compound with molecular formula C22H25N3O3S2 and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethoxyphenyl)-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-Ethoxyphenyl)-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-ethoxyphenyl)-2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, 638-207-9, N-(2-ETHOXYPHENYL)-2-((3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO(1)BENZOTHIENO(2,3-D)PYRIMIDIN-2-YL)SULFANYL)ACETAMIDE, N-(2-ethoxyphenyl)-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 | C22H25N3O3S2 |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 4.4862 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.13373 |
| Heavy Atoms | 30 |
| Complexity | 1136.5935 |
Chemical Identifiers
| CAS Number | 587012-70-2 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3OCC)SC4=C2CCCC4 |
Product Overview
RefChem:825310 (CAS 587012-70-2), with molecular formula C22H25N3O3S2 and molecular weight 443.13 g/mol. IUPAC: N-(2-ethoxyphenyl)-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:825310
Property Insights of RefChem:825310
The XLogP value of 4.4862 indicates that RefChem:825310 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:825310. Following Lipinski's Rule of Five, RefChem:825310 has 1 hydrogen bond donor(s) and 6 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:825310?
The CAS number of RefChem:825310 is 587012-70-2.
What is the molecular formula of RefChem:825310?
The molecular formula of RefChem:825310 is C22H25N3O3S2.
What is the molecular weight of RefChem:825310?
The molecular weight of RefChem:825310 is 443.13 g/mol.
Where can I buy RefChem:825310?
You can request a quote for RefChem:825310 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:825310?
Yes, KEHONG BIO provides custom synthesis services for RefChem:825310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.