ChemDiv1_005872
TL;DR: ChemDiv1_005872 (CAS 346643-12-7) is a chemical compound with molecular formula C21H20N2O6S and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(3-methoxyphenyl)-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione
Also Known As: ChemDiv1_005872, (5Z)-1-(3-methoxyphenyl)-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione, (Z)-1-(3-methoxyphenyl)-2-thioxo-5-(2,3,4-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C21H20N2O6S |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 2.5523 |
| Topological Polar Surface Area | 86.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.10422 |
| Heavy Atoms | 30 |
| Complexity | 1049.7872 |
Chemical Identifiers
| CAS Number | 346643-12-7 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)OC)OC)OC |
Product Overview
ChemDiv1_005872 (CAS 346643-12-7), with molecular formula C21H20N2O6S and molecular weight 428.10 g/mol. IUPAC: (5Z)-1-(3-methoxyphenyl)-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione.
Chemical Property Profile of ChemDiv1_005872
Property Insights of ChemDiv1_005872
The XLogP value of 2.5523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005872. The TPSA of 86.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005872. Following Lipinski's Rule of Five, ChemDiv1_005872 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_005872?
The CAS number of ChemDiv1_005872 is 346643-12-7.
What is the molecular formula of ChemDiv1_005872?
The molecular formula of ChemDiv1_005872 is C21H20N2O6S.
What is the molecular weight of ChemDiv1_005872?
The molecular weight of ChemDiv1_005872 is 428.10 g/mol.
Where can I buy ChemDiv1_005872?
You can request a quote for ChemDiv1_005872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005872?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.