![methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate structure](/static/products/6444/64444-92-4.webp)
methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate
TL;DR: methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate (CAS 64444-92-4) is a chemical compound with molecular formula C18H13ClN4O3 and molecular weight 368.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate
Also Known As: methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate, Methyl 8-chloro-5-oxo-6-phenyl-4H-5lambda~5~-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxylate
| Molecular Formula | C18H13ClN4O3 |
|---|---|
| Molecular Weight | 368.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.06763 |
| Heavy Atoms | 26 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 64444-92-4 |
|---|---|
| SMILES | COC(=O)C1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4 |
| InChIKey | OLEHRAKSNYCEFQ-UHFFFAOYSA-N |
Product Overview
methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate (CAS 64444-92-4), with molecular formula C18H13ClN4O3 and molecular weight 368.07 g/mol. IUPAC: methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate.
Chemical Property Profile of methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate
Property Insights of methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate. Following Lipinski's Rule of Five, methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate has 0 hydrogen bond donor(s) and 5 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 methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate?
The CAS number of methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate is 64444-92-4.
What is the molecular formula of methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate?
The molecular formula of methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate is C18H13ClN4O3.
What is the molecular weight of methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate?
The molecular weight of methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate is 368.07 g/mol.
Where can I buy methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate?
You can request a quote for methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 8-chloro-5-oxido-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.