![3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide structure](/static/products/518/518019-29-9.png)
3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide
TL;DR: 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide (CAS 518019-29-9) is a chemical compound with molecular formula C16H13ClFN5O and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzotriazol-1-yl)-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]propanamide
Also Known As: 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide, (E)-3-(1H-benzo[d][1,2,3]triazol-1-yl)-N'-(2-chloro-6-fluorobenzylidene)propanehydrazide, 3-(benzotriazol-1-yl)-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]propanamide, N-[(1E)-2-(2-chloro-6-fluorophenyl)-1-azavinyl]-3-benzotriazolylpropanamide, 3-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanohydrazide
| Molecular Formula | C16H13ClFN5O |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 2.7642 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.07925 |
| Heavy Atoms | 24 |
| Complexity | 888.1241 |
Chemical Identifiers
| CAS Number | 518019-29-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CCC(=O)N/N=C/C3=C(C=CC=C3Cl)F |
Product Overview
3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide (CAS 518019-29-9), with molecular formula C16H13ClFN5O and molecular weight 345.08 g/mol. IUPAC: 3-(benzotriazol-1-yl)-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]propanamide.
Chemical Property Profile of 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide
Property Insights of 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide
The XLogP value of 2.7642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide. Following Lipinski's Rule of Five, 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide 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 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide?
The CAS number of 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide is 518019-29-9.
What is the molecular formula of 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide?
The molecular formula of 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide is C16H13ClFN5O.
What is the molecular weight of 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide?
The molecular weight of 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide is 345.08 g/mol.
Where can I buy 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide?
You can request a quote for 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-benzotriazol-1-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]propanehydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.