A4041/0172309
TL;DR: A4041/0172309 (CAS 111827-88-4) is a chemical compound with molecular formula C16H9BrCl2N4S and molecular weight 437.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: A4041/0172309, 6-(4-bromophenyl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
| Molecular Formula | C16H9BrCl2N4S |
|---|---|
| Molecular Weight | 437.91 g/mol |
| LogP | 5.3725 |
| Topological Polar Surface Area | 43.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 437.91083 |
| Heavy Atoms | 24 |
| Complexity | 953.2113 |
Chemical Identifiers
| CAS Number | 111827-88-4 |
|---|---|
| SMILES | C1C(=NN2C(=NN=C2S1)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Br |
Product Overview
A4041/0172309 (CAS 111827-88-4), with molecular formula C16H9BrCl2N4S and molecular weight 437.91 g/mol. IUPAC: 6-(4-bromophenyl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of A4041/0172309
Property Insights of A4041/0172309
The XLogP value of 5.3725 indicates that A4041/0172309 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.07 Ų, A4041/0172309 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4041/0172309 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4041/0172309?
The CAS number of A4041/0172309 is 111827-88-4.
What is the molecular formula of A4041/0172309?
The molecular formula of A4041/0172309 is C16H9BrCl2N4S.
What is the molecular weight of A4041/0172309?
The molecular weight of A4041/0172309 is 437.91 g/mol.
Where can I buy A4041/0172309?
You can request a quote for A4041/0172309 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4041/0172309?
Yes, KEHONG BIO provides custom synthesis services for A4041/0172309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.