A4102/0174914
TL;DR: A4102/0174914 (CAS 893773-40-5) is a chemical compound with molecular formula C18H8Cl2N4O2S and molecular weight 413.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]chromen-2-one
Also Known As: A4102/0174914, 3-[3-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2H-chromen-2-one, 3-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]chromen-2-one, 3-(3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2H-chromen-2-one
| Molecular Formula | C18H8Cl2N4O2S |
|---|---|
| Molecular Weight | 413.97 g/mol |
| LogP | 4.933 |
| Topological Polar Surface Area | 73.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.9745 |
| Heavy Atoms | 27 |
| Complexity | 1389.429 |
Chemical Identifiers
| CAS Number | 893773-40-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN4C(=NN=C4S3)C5=C(C=C(C=C5)Cl)Cl |
Product Overview
A4102/0174914 (CAS 893773-40-5), with molecular formula C18H8Cl2N4O2S and molecular weight 413.97 g/mol. IUPAC: 3-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]chromen-2-one.
Chemical Property Profile of A4102/0174914
Property Insights of A4102/0174914
The XLogP value of 4.933 indicates that A4102/0174914 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.29 Ų falls within the moderate polarity range, balancing permeability and solubility for A4102/0174914. Following Lipinski's Rule of Five, A4102/0174914 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 A4102/0174914?
The CAS number of A4102/0174914 is 893773-40-5.
What is the molecular formula of A4102/0174914?
The molecular formula of A4102/0174914 is C18H8Cl2N4O2S.
What is the molecular weight of A4102/0174914?
The molecular weight of A4102/0174914 is 413.97 g/mol.
Where can I buy A4102/0174914?
You can request a quote for A4102/0174914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4102/0174914?
Yes, KEHONG BIO provides custom synthesis services for A4102/0174914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.