ChemDiv1_009670
TL;DR: ChemDiv1_009670 (CAS 380353-05-9) is a chemical compound with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_009670, 2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, AB00116262-01, AO-364/40761155, 2-((3-(4-Ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
| Molecular Formula | C20H21N3O3S2 |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 3.3021 |
| Topological Polar Surface Area | 87.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.10245 |
| Heavy Atoms | 28 |
| Complexity | 1086.7544 |
Chemical Identifiers
| CAS Number | 380353-05-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N)SC4=C3CCCC4 |
Product Overview
ChemDiv1_009670 (CAS 380353-05-9), with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol. IUPAC: 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 ChemDiv1_009670
Property Insights of ChemDiv1_009670
The XLogP value of 3.3021 indicates that ChemDiv1_009670 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009670. Following Lipinski's Rule of Five, ChemDiv1_009670 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 ChemDiv1_009670?
The CAS number of ChemDiv1_009670 is 380353-05-9.
What is the molecular formula of ChemDiv1_009670?
The molecular formula of ChemDiv1_009670 is C20H21N3O3S2.
What is the molecular weight of ChemDiv1_009670?
The molecular weight of ChemDiv1_009670 is 415.10 g/mol.
Where can I buy ChemDiv1_009670?
You can request a quote for ChemDiv1_009670 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009670?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009670 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.