1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt
TL;DR: 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt (CAS 144575-47-3) is a chemical compound with molecular formula C7H4Cl2N4O and molecular weight 229.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichlorophenyl)-1-oxa-2-aza-3-azonia-4-azanidacyclopent-2-en-5-imine
Also Known As: GEA 3162, Gea3162?, EX-A10786, 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt, 3-(3,4-dichlorophenyl)-1-oxa-2-aza-3-azonia-4-azanidacyclopent-2-en-5-imine
| Molecular Formula | C7H4Cl2N4O |
|---|---|
| Molecular Weight | 229.98 g/mol |
| LogP | 0.69477 |
| Topological Polar Surface Area | 67.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.97621 |
| Heavy Atoms | 14 |
| Complexity | 518.4035 |
Chemical Identifiers
| CAS Number | 144575-47-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+]2=NOC(=N)[N-]2)Cl)Cl |
Product Overview
1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt (CAS 144575-47-3), with molecular formula C7H4Cl2N4O and molecular weight 229.98 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-1-oxa-2-aza-3-azonia-4-azanidacyclopent-2-en-5-imine.
Chemical Property Profile of 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt
Property Insights of 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt
The XLogP value of 0.69477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt. The TPSA of 67.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt. Following Lipinski's Rule of Five, 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt has 1 hydrogen bond donor(s) and 3 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 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt?
The CAS number of 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt is 144575-47-3.
What is the molecular formula of 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt?
The molecular formula of 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt is C7H4Cl2N4O.
What is the molecular weight of 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt?
The molecular weight of 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt is 229.98 g/mol.
Where can I buy 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt?
You can request a quote for 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Oxatriazolium, 5-amino-3-(3,4-dichlorophenyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.