ChemDiv1_004075
TL;DR: ChemDiv1_004075 (CAS 6069-72-3) is a chemical compound with molecular formula C20H17ClN2O5S and molecular weight 432.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: ChemDiv1_004075, BIM-0003717.P001, 5-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-{[3-CHLORO-5-METHOXY-4-(2-PHENOXYETHOXY)PHENYL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
| Molecular Formula | C20H17ClN2O5S |
|---|---|
| Molecular Weight | 432.05 g/mol |
| LogP | 2.7207 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.05466 |
| Heavy Atoms | 29 |
| Complexity | 956.3369 |
Chemical Identifiers
| CAS Number | 6069-72-3 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Cl)OCCOC3=CC=CC=C3 |
Product Overview
ChemDiv1_004075 (CAS 6069-72-3), with molecular formula C20H17ClN2O5S and molecular weight 432.05 g/mol. IUPAC: 5-[[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of ChemDiv1_004075
Property Insights of ChemDiv1_004075
The XLogP value of 2.7207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004075. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004075. Following Lipinski's Rule of Five, ChemDiv1_004075 has 2 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_004075?
The CAS number of ChemDiv1_004075 is 6069-72-3.
What is the molecular formula of ChemDiv1_004075?
The molecular formula of ChemDiv1_004075 is C20H17ClN2O5S.
What is the molecular weight of ChemDiv1_004075?
The molecular weight of ChemDiv1_004075 is 432.05 g/mol.
Where can I buy ChemDiv1_004075?
You can request a quote for ChemDiv1_004075 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004075?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004075 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.