![o-[(E)-carbohydrazonoyl]benzoic acid structure](/static/products/784/784164-52-9.png)
o-[(E)-carbohydrazonoyl]benzoic acid
TL;DR: o-[(E)-carbohydrazonoyl]benzoic acid (CAS 784164-52-9) is a chemical compound with molecular formula C21H20N4O6 and molecular weight 424.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[[5-[(2E)-2-[(2-carboxyphenyl)methylidene]hydrazinyl]-5-oxopentanoyl]hydrazinylidene]methyl]benzoic acid
Also Known As: o-[(E)-carbohydrazonoyl]benzoic acid, AB00686164-01, F1577-0101, AS-871/42472112, 2,2'-((1E,1'E)-(2,2'-glutaroylbis(hydrazin-2-yl-1-ylidene))bis(methanylylidene))dibenzoic acid
| Molecular Formula | C21H20N4O6 |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | 1.8537 |
| Topological Polar Surface Area | 157.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 424.13828 |
| Heavy Atoms | 31 |
| Complexity | 950.535 |
Chemical Identifiers
| CAS Number | 784164-52-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N/NC(=O)CCCC(=O)N/N=C/C2=CC=CC=C2C(=O)O)C(=O)O |
Product Overview
o-[(E)-carbohydrazonoyl]benzoic acid (CAS 784164-52-9), with molecular formula C21H20N4O6 and molecular weight 424.14 g/mol. IUPAC: 2-[(E)-[[5-[(2E)-2-[(2-carboxyphenyl)methylidene]hydrazinyl]-5-oxopentanoyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of o-[(E)-carbohydrazonoyl]benzoic acid
Property Insights of o-[(E)-carbohydrazonoyl]benzoic acid
The XLogP value of 1.8537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-[(E)-carbohydrazonoyl]benzoic acid. The TPSA of 157.52 Ų indicates high polarity, suggesting o-[(E)-carbohydrazonoyl]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, o-[(E)-carbohydrazonoyl]benzoic acid has 4 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 o-[(E)-carbohydrazonoyl]benzoic acid?
The CAS number of o-[(E)-carbohydrazonoyl]benzoic acid is 784164-52-9.
What is the molecular formula of o-[(E)-carbohydrazonoyl]benzoic acid?
The molecular formula of o-[(E)-carbohydrazonoyl]benzoic acid is C21H20N4O6.
What is the molecular weight of o-[(E)-carbohydrazonoyl]benzoic acid?
The molecular weight of o-[(E)-carbohydrazonoyl]benzoic acid is 424.14 g/mol.
Where can I buy o-[(E)-carbohydrazonoyl]benzoic acid?
You can request a quote for o-[(E)-carbohydrazonoyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-[(E)-carbohydrazonoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for o-[(E)-carbohydrazonoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.