ChemDiv1_008559
TL;DR: ChemDiv1_008559 (CAS 5999-47-3) is a chemical compound with molecular formula C23H17N3O6S and molecular weight 463.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(3-ethoxyphenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: ChemDiv1_008559, (5Z)-1-(3-ETHOXYPHENYL)-5-{[5-(2-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, (5Z)-1-(3-ethoxyphenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-1-(3-ethoxyphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-1-(3-ethoxyphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C23H17N3O6S |
|---|---|
| Molecular Weight | 463.08 g/mol |
| LogP | 4.0848 |
| Topological Polar Surface Area | 114.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.0838 |
| Heavy Atoms | 33 |
| Complexity | 1312.7854 |
Chemical Identifiers
| CAS Number | 5999-47-3 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])/C(=O)NC2=S |
Product Overview
ChemDiv1_008559 (CAS 5999-47-3), with molecular formula C23H17N3O6S and molecular weight 463.08 g/mol. IUPAC: (5Z)-1-(3-ethoxyphenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of ChemDiv1_008559
Property Insights of ChemDiv1_008559
The XLogP value of 4.0848 indicates that ChemDiv1_008559 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008559. Following Lipinski's Rule of Five, ChemDiv1_008559 has 1 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_008559?
The CAS number of ChemDiv1_008559 is 5999-47-3.
What is the molecular formula of ChemDiv1_008559?
The molecular formula of ChemDiv1_008559 is C23H17N3O6S.
What is the molecular weight of ChemDiv1_008559?
The molecular weight of ChemDiv1_008559 is 463.08 g/mol.
Where can I buy ChemDiv1_008559?
You can request a quote for ChemDiv1_008559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008559?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.