7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-
TL;DR: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)- (CAS 126598-13-8) is a chemical compound with molecular formula C21H19BrN4O5S and molecular weight 518.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
Also Known As: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-, 2-[6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid, 7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine-7-aceticacid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-, [6-(4-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid, 2-(6-(4-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)acetic acid
| Molecular Formula | C21H19BrN4O5S |
|---|---|
| Molecular Weight | 518.03 g/mol |
| LogP | 3.9348 |
| Topological Polar Surface Area | 108.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.02594 |
| Heavy Atoms | 32 |
| Complexity | 1170.3959 |
Chemical Identifiers
| CAS Number | 126598-13-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2N=C(C(S3)CC(=O)O)C4=CC=C(C=C4)Br |
Product Overview
7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)- (CAS 126598-13-8), with molecular formula C21H19BrN4O5S and molecular weight 518.03 g/mol. IUPAC: 2-[6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid.
Chemical Property Profile of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-
Property Insights of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-
The XLogP value of 3.9348 indicates that 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-. Following Lipinski's Rule of Five, 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)- has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-?
The CAS number of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)- is 126598-13-8.
What is the molecular formula of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-?
The molecular formula of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)- is C21H19BrN4O5S.
What is the molecular weight of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-?
The molecular weight of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)- is 518.03 g/mol.
Where can I buy 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-?
You can request a quote for 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.