ChemDiv1_018936
TL;DR: ChemDiv1_018936 (CAS 346440-39-9) is a chemical compound with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylamino)-5,5-dioxo-3H-[1,2,4]triazolo[4,3-b][1,2]benzothiazol-2-yl]-(4-methoxyphenyl)methanone
Also Known As: ChemDiv1_018936, DivK1c_003720, CDS1_002680, BAS 02519672, [3-(dimethylamino)-5,5-dioxo-3H-[1,2,4]triazolo[4,3-b][1,2]benzothiazol-2-yl]-(4-methoxyphenyl)methanone
| Molecular Formula | C18H18N4O4S |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 1.3623 |
| Topological Polar Surface Area | 82.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.1049 |
| Heavy Atoms | 27 |
| Complexity | 1047.2863 |
Chemical Identifiers
| CAS Number | 346440-39-9 |
|---|---|
| SMILES | CN(C)C1N2C(=NN1C(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4S2(=O)=O |
Product Overview
ChemDiv1_018936 (CAS 346440-39-9), with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol. IUPAC: [3-(dimethylamino)-5,5-dioxo-3H-[1,2,4]triazolo[4,3-b][1,2]benzothiazol-2-yl]-(4-methoxyphenyl)methanone.
Chemical Property Profile of ChemDiv1_018936
Property Insights of ChemDiv1_018936
The XLogP value of 1.3623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_018936. The TPSA of 82.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018936. Following Lipinski's Rule of Five, ChemDiv1_018936 has 0 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_018936?
The CAS number of ChemDiv1_018936 is 346440-39-9.
What is the molecular formula of ChemDiv1_018936?
The molecular formula of ChemDiv1_018936 is C18H18N4O4S.
What is the molecular weight of ChemDiv1_018936?
The molecular weight of ChemDiv1_018936 is 386.10 g/mol.
Where can I buy ChemDiv1_018936?
You can request a quote for ChemDiv1_018936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018936?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.