![3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid structure](/static/products/755/755018-47-4.png)
3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid
TL;DR: 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid (CAS 755018-47-4) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzoic acid
Also Known As: (E)-3-methyl-4-(((2-oxocyclohexylidene)methyl)amino)benzoic acid, 3-methyl-4-[(2-oxocyclohexylidene)methylamino]benzoic Acid, 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid, 3-methyl-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzoic acid, 3-Methyl-4-{[2-oxo-cyclohex-(E)-ylidenemethyl]-amino}-benzoic acid
| Molecular Formula | C15H17NO3 |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 3.13212 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.12085 |
| Heavy Atoms | 19 |
| Complexity | 546.3217 |
Chemical Identifiers
| CAS Number | 755018-47-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)O)N/C=C/2\CCCCC2=O |
Product Overview
3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid (CAS 755018-47-4), with molecular formula C15H17NO3 and molecular weight 259.12 g/mol. IUPAC: 3-methyl-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzoic acid.
Chemical Property Profile of 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid
Property Insights of 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid
The XLogP value of 3.13212 indicates that 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 3 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-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid?
The CAS number of 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid is 755018-47-4.
What is the molecular formula of 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid?
The molecular formula of 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid is C15H17NO3.
What is the molecular weight of 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid?
The molecular weight of 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid is 259.12 g/mol.
Where can I buy 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid?
You can request a quote for 3-methyl-4-{[(E)-(2-oxocyclohexylidene)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-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.