7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1)
TL;DR: 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1) (CAS 118788-74-2) is a chemical compound with molecular formula C7H7ClN4O3 and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 7-chloro-1,4-dioxido-1,2,4-benzotriazin-1-ium-3-one
Also Known As: 7-Chloro-1,2,4-benzotriazin-3(2H)-one 1,4-dioxide ammonium salt, 1,2,4-Benzotriazin-3(2H)-one, 7-chloro-, 1,4-dioxide, ammonium salt, azanium 7-chloro-1,4-dioxido-1,2,4-benzotriazin-1-ium-3-one, 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1), RefChem:1074376
| Molecular Formula | C7H7ClN4O3 |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 0.4054 |
| Topological Polar Surface Area | 121.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.02066 |
| Heavy Atoms | 15 |
| Complexity | 567.89923 |
Chemical Identifiers
| CAS Number | 118788-74-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)[N+](=NC(=O)N2[O-])[O-].[NH4+] |
Product Overview
7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1) (CAS 118788-74-2), with molecular formula C7H7ClN4O3 and molecular weight 230.02 g/mol. IUPAC: azanium 7-chloro-1,4-dioxido-1,2,4-benzotriazin-1-ium-3-one.
Chemical Property Profile of 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1)
Property Insights of 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1)
The XLogP value of 0.4054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1). The TPSA of 121.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1). Following Lipinski's Rule of Five, 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1) has 1 hydrogen bond donor(s) and 4 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 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1)?
The CAS number of 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1) is 118788-74-2.
What is the molecular formula of 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1)?
The molecular formula of 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1) is C7H7ClN4O3.
What is the molecular weight of 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1)?
The molecular weight of 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1) is 230.02 g/mol.
Where can I buy 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1)?
You can request a quote for 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-1,3-dioxo-1lambda~5~,2,4-benzotriazin-2-ium-4(3H)-olate--ammonia (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.