ChemDiv1_005696
TL;DR: ChemDiv1_005696 (CAS 346643-29-6) 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.
(5Z)-1-(4-chlorophenyl)-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione
Also Known As: ChemDiv1_005696, AB00098057-01, (5Z)-1-(4-chlorophenyl)-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione, (Z)-1-(4-chlorophenyl)-2-thioxo-5-(2,3,4-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C20H17ClN2O5S |
|---|---|
| Molecular Weight | 432.05 g/mol |
| LogP | 3.1971 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.05466 |
| Heavy Atoms | 29 |
| Complexity | 1020.2768 |
Chemical Identifiers
| CAS Number | 346643-29-6 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)OC)OC |
Product Overview
ChemDiv1_005696 (CAS 346643-29-6), with molecular formula C20H17ClN2O5S and molecular weight 432.05 g/mol. IUPAC: (5Z)-1-(4-chlorophenyl)-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione.
Chemical Property Profile of ChemDiv1_005696
Property Insights of ChemDiv1_005696
The XLogP value of 3.1971 indicates that ChemDiv1_005696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005696. Following Lipinski's Rule of Five, ChemDiv1_005696 has 1 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_005696?
The CAS number of ChemDiv1_005696 is 346643-29-6.
What is the molecular formula of ChemDiv1_005696?
The molecular formula of ChemDiv1_005696 is C20H17ClN2O5S.
What is the molecular weight of ChemDiv1_005696?
The molecular weight of ChemDiv1_005696 is 432.05 g/mol.
Where can I buy ChemDiv1_005696?
You can request a quote for ChemDiv1_005696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005696?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.