ChemDiv1_012542
TL;DR: ChemDiv1_012542 (CAS 362501-86-8) is a chemical compound with molecular formula C19H22N2O4S2 and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]propanoate
Also Known As: ChemDiv1_012542, F0513-0431, F0579-0479, ethyl 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]propanoate, ethyl 2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)propanoate
| Molecular Formula | C19H22N2O4S2 |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 3.3231 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.1021 |
| Heavy Atoms | 27 |
| Complexity | 880.5138 |
Chemical Identifiers
| CAS Number | 362501-86-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SC(C)C(=O)OCC |
Product Overview
ChemDiv1_012542 (CAS 362501-86-8), with molecular formula C19H22N2O4S2 and molecular weight 406.10 g/mol. IUPAC: ethyl 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]propanoate.
Chemical Property Profile of ChemDiv1_012542
Property Insights of ChemDiv1_012542
The XLogP value of 3.3231 indicates that ChemDiv1_012542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012542. Following Lipinski's Rule of Five, ChemDiv1_012542 has 0 hydrogen bond donor(s) and 7 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_012542?
The CAS number of ChemDiv1_012542 is 362501-86-8.
What is the molecular formula of ChemDiv1_012542?
The molecular formula of ChemDiv1_012542 is C19H22N2O4S2.
What is the molecular weight of ChemDiv1_012542?
The molecular weight of ChemDiv1_012542 is 406.10 g/mol.
Where can I buy ChemDiv1_012542?
You can request a quote for ChemDiv1_012542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012542?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.