![2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid structure](/static/products/840/840486-34-2.png)
2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid
TL;DR: 2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid (CAS 840486-34-2) 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.
2-[[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino]benzoic acid
Also Known As: 2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid, (Z)-2-(((3-methyl-2-oxocyclohexylidene)methyl)amino)benzoic acid, 2-[[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino]benzoic acid, 2-({[(1Z)-3-METHYL-2-OXOCYCLOHEXYLIDENE]METHYL}AMINO)BENZOIC ACID
| Molecular Formula | C15H17NO3 |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 3.0697 |
| 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 | 533.94714 |
Chemical Identifiers
| CAS Number | 840486-34-2 |
|---|---|
| SMILES | CC1CCC/C(=C/NC2=CC=CC=C2C(=O)O)/C1=O |
Product Overview
2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid (CAS 840486-34-2), with molecular formula C15H17NO3 and molecular weight 259.12 g/mol. IUPAC: 2-[[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino]benzoic acid.
Chemical Property Profile of 2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid
Property Insights of 2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid
The XLogP value of 3.0697 indicates that 2-{[(Z)-(3-methyl-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 2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-{[(Z)-(3-methyl-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 2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid?
The CAS number of 2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid is 840486-34-2.
What is the molecular formula of 2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid?
The molecular formula of 2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid is C15H17NO3.
What is the molecular weight of 2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid?
The molecular weight of 2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid is 259.12 g/mol.
Where can I buy 2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid?
You can request a quote for 2-{[(Z)-(3-methyl-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 2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(Z)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.