3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide
TL;DR: 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide (CAS 5316-59-6) is a chemical compound with molecular formula C15H17ClN2O2 and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]benzamide
Also Known As: 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide, 3-chloro-N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]benzamide, A1193/0055001, 3-CHLORO-N'-[(1E)-3,3-DIMETHYL-5-OXOCYCLOHEXYLIDENE]BENZOHYDRAZIDE
| Molecular Formula | C15H17ClN2O2 |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 3.205 |
| Topological Polar Surface Area | 58.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.09787 |
| Heavy Atoms | 20 |
| Complexity | 578.99115 |
Chemical Identifiers
| CAS Number | 5316-59-6 |
|---|---|
| SMILES | CC1(C/C(=N\NC(=O)C2=CC(=CC=C2)Cl)/CC(=O)C1)C |
Product Overview
3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide (CAS 5316-59-6), with molecular formula C15H17ClN2O2 and molecular weight 292.10 g/mol. IUPAC: 3-chloro-N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]benzamide.
Chemical Property Profile of 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide
Property Insights of 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide
The XLogP value of 3.205 indicates that 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.53 Ų, 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide 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 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide?
The CAS number of 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide is 5316-59-6.
What is the molecular formula of 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide?
The molecular formula of 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide is C15H17ClN2O2.
What is the molecular weight of 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide?
The molecular weight of 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide is 292.10 g/mol.
Where can I buy 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide?
You can request a quote for 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N'-(3,3-dimethyl-5-oxocyclohexylidene)benzohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.