Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate
TL;DR: Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate (CAS 478385-10-3) is a chemical compound with molecular formula C18H17N5O3 and molecular weight 351.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[3-(benzotriazol-1-yl)propanoylhydrazinylidene]methyl]benzoate
Also Known As: AB00685593-01, methyl 4-[(E)-{2-[3-(1H-benzotriazol-1-yl)propanoyl]hydrazinylidene}methyl]benzoate, Methyl 4-((2-(3-(1H-benzo[d][1,2,3]triazol-1-yl)propanoyl)hydrazono)methyl)benzoate, METHYL 4-(2-(3-(1H-1,2,3-BENZOTRIAZOL-1-YL)PROPANOYL)CARBOHYDRAZONOYL)BENZOATE, methyl 4-[(1E)-2-(3-benzotriazolylpropanoylamino)-2-azavinyl]benzoate
| Molecular Formula | C18H17N5O3 |
|---|---|
| Molecular Weight | 351.13 g/mol |
| LogP | 1.7583 |
| Topological Polar Surface Area | 98.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.13315 |
| Heavy Atoms | 26 |
| Complexity | 946.87476 |
Chemical Identifiers
| CAS Number | 478385-10-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)CCN2C3=CC=CC=C3N=N2 |
Product Overview
Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate (CAS 478385-10-3), with molecular formula C18H17N5O3 and molecular weight 351.13 g/mol. IUPAC: methyl 4-[(E)-[3-(benzotriazol-1-yl)propanoylhydrazinylidene]methyl]benzoate.
Chemical Property Profile of Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate
Property Insights of Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate
The XLogP value of 1.7583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate. The TPSA of 98.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate has 1 hydrogen bond donor(s) and 6 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 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate?
The CAS number of Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate is 478385-10-3.
What is the molecular formula of Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate?
The molecular formula of Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate is C18H17N5O3.
What is the molecular weight of Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate?
The molecular weight of Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate is 351.13 g/mol.
Where can I buy Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate?
You can request a quote for Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-(3-(1H-1,2,3-benzotriazol-1-YL)propanoyl)carbohydrazonoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.