N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide
TL;DR: N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide (CAS 304481-47-8) is a chemical compound with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-methylbenzamide
Also Known As: BAS 00598264, N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide, N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-methylbenzamide, 2-Methyl-benzoic acid (3,3-dimethyl-5-oxo-cyclohexylidene)-hydrazide
| Molecular Formula | C16H20N2O2 |
|---|---|
| Molecular Weight | 272.15 g/mol |
| LogP | 2.86002 |
| Topological Polar Surface Area | 58.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.15247 |
| Heavy Atoms | 20 |
| Complexity | 573.59454 |
Chemical Identifiers
| CAS Number | 304481-47-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)N/N=C\2/CC(=O)CC(C2)(C)C |
Product Overview
N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide (CAS 304481-47-8), with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol. IUPAC: N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-methylbenzamide.
Chemical Property Profile of N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide
Property Insights of N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide
The XLogP value of 2.86002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide. With a topological polar surface area (TPSA) of 58.53 Ų, N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide has 1 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 N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide?
The CAS number of N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide is 304481-47-8.
What is the molecular formula of N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide?
The molecular formula of N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide is C16H20N2O2.
What is the molecular weight of N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide?
The molecular weight of N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide is 272.15 g/mol.
Where can I buy N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide?
You can request a quote for N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-methylbenzohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.