A4049/0172716
TL;DR: A4049/0172716 (CAS 898128-99-9) is a chemical compound with molecular formula C18H11Cl2N5S2 and molecular weight 430.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]-1,3-benzothiazole
Also Known As: A4049/0172716, 2-{2-[3-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-1,3-benzothiazole, 2-(2-(3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)benzo[d]thiazole, 2-[2-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]-1,3-benzothiazole
| Molecular Formula | C18H11Cl2N5S2 |
|---|---|
| Molecular Weight | 430.98 g/mol |
| LogP | 5.5545 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.9833 |
| Heavy Atoms | 27 |
| Complexity | 1240.4789 |
Chemical Identifiers
| CAS Number | 898128-99-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)CCC3=NN4C(=NN=C4S3)C5=C(C=C(C=C5)Cl)Cl |
Product Overview
A4049/0172716 (CAS 898128-99-9), with molecular formula C18H11Cl2N5S2 and molecular weight 430.98 g/mol. IUPAC: 2-[2-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]-1,3-benzothiazole.
Chemical Property Profile of A4049/0172716
Property Insights of A4049/0172716
The XLogP value of 5.5545 indicates that A4049/0172716 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, A4049/0172716 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4049/0172716 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4049/0172716?
The CAS number of A4049/0172716 is 898128-99-9.
What is the molecular formula of A4049/0172716?
The molecular formula of A4049/0172716 is C18H11Cl2N5S2.
What is the molecular weight of A4049/0172716?
The molecular weight of A4049/0172716 is 430.98 g/mol.
Where can I buy A4049/0172716?
You can request a quote for A4049/0172716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4049/0172716?
Yes, KEHONG BIO provides custom synthesis services for A4049/0172716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.