![3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid structure](/static/products/5310/5310-63-4.webp)
3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid
TL;DR: 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid (CAS 5310-63-4) is a chemical compound with molecular formula C14H11NO4 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dihydroxyphenyl)methylideneamino]benzoic acid
Also Known As: 3-[(2,4-Dihydroxyphenyl)methylideneamino]benzoic acid, 3-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]benzoic Acid, 3-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]benzoic acid, 3-[[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]benzoic acid, 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 2.5466 |
| Topological Polar Surface Area | 90.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 649.6443 |
Chemical Identifiers
| CAS Number | 5310-63-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N=CC2=C(C=C(C=C2)O)O)C(=O)O |
Product Overview
3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid (CAS 5310-63-4), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: 3-[(2,4-dihydroxyphenyl)methylideneamino]benzoic acid.
Chemical Property Profile of 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid
Property Insights of 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid
The XLogP value of 2.5466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid. The TPSA of 90.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid has 3 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-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid?
The CAS number of 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid is 5310-63-4.
What is the molecular formula of 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid?
The molecular formula of 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid is C14H11NO4.
What is the molecular weight of 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid?
The molecular weight of 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid is 257.07 g/mol.
Where can I buy 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid?
You can request a quote for 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(E)-(2-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.