7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-
TL;DR: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)- (CAS 126598-32-1) is a chemical compound with molecular formula C13H10N4O4S and molecular weight 318.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetic acid
Also Known As: 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-, 3-(1,3-Benzodioxol-5-yl)-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 2-[3-(1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetic acid, 7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine-6-aceticacid, 3-(1,3-benzodioxol-5-yl)-, [3-(2H-1,3-BENZODIOXOL-5-YL)-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZIN-6-YL]ACETIC ACID
| Molecular Formula | C13H10N4O4S |
|---|---|
| Molecular Weight | 318.04 g/mol |
| LogP | 1.4583 |
| Topological Polar Surface Area | 98.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.04227 |
| Heavy Atoms | 22 |
| Complexity | 801.33295 |
Chemical Identifiers
| CAS Number | 126598-32-1 |
|---|---|
| SMILES | C1C(=NN2C(=NN=C2S1)C3=CC4=C(C=C3)OCO4)CC(=O)O |
Product Overview
7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)- (CAS 126598-32-1), with molecular formula C13H10N4O4S and molecular weight 318.04 g/mol. IUPAC: 2-[3-(1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetic acid.
Chemical Property Profile of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-
Property Insights of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-
The XLogP value of 1.4583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-. The TPSA of 98.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-. Following Lipinski's Rule of Five, 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)- has 1 hydrogen bond donor(s) and 7 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 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-?
The CAS number of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)- is 126598-32-1.
What is the molecular formula of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-?
The molecular formula of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)- is C13H10N4O4S.
What is the molecular weight of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-?
The molecular weight of 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)- is 318.04 g/mol.
Where can I buy 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-?
You can request a quote for 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)- 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-6-acetic acid, 3-(1,3-benzodioxol-5-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-acetic acid, 3-(1,3-benzodioxol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.