ChemDiv1_012586
TL;DR: ChemDiv1_012586 (CAS 362502-04-3) is a chemical compound with molecular formula C20H21N5O3S4 and molecular weight 507.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: ChemDiv1_012586, F0513-0458, F0579-0414, 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide, 2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C20H21N5O3S4 |
|---|---|
| Molecular Weight | 507.05 g/mol |
| LogP | 3.9737 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 507.05273 |
| Heavy Atoms | 32 |
| Complexity | 1163.0322 |
Chemical Identifiers
| CAS Number | 362502-04-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4=NN=C(S4)SCC |
Product Overview
ChemDiv1_012586 (CAS 362502-04-3), with molecular formula C20H21N5O3S4 and molecular weight 507.05 g/mol. IUPAC: 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of ChemDiv1_012586
Property Insights of ChemDiv1_012586
The XLogP value of 3.9737 indicates that ChemDiv1_012586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012586. Following Lipinski's Rule of Five, ChemDiv1_012586 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012586?
The CAS number of ChemDiv1_012586 is 362502-04-3.
What is the molecular formula of ChemDiv1_012586?
The molecular formula of ChemDiv1_012586 is C20H21N5O3S4.
What is the molecular weight of ChemDiv1_012586?
The molecular weight of ChemDiv1_012586 is 507.05 g/mol.
Where can I buy ChemDiv1_012586?
You can request a quote for ChemDiv1_012586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012586?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.