![[(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate structure](/static/products/342/342591-70-2.png)
[(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate
TL;DR: [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate (CAS 342591-70-2) is a chemical compound with molecular formula C16H18ClNO2 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate
Also Known As: 3,5,5-trimethyl-2-cyclohexen-1-one O-(2-chlorobenzoyl)oxime, [(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate
| Molecular Formula | C16H18ClNO2 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 4.6191 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.1026 |
| Heavy Atoms | 20 |
| Complexity | 587.8946 |
Chemical Identifiers
| CAS Number | 342591-70-2 |
|---|---|
| SMILES | CC1=CC(=NOC(=O)C2=CC=CC=C2Cl)CC(C1)(C)C |
Product Overview
[(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate (CAS 342591-70-2), with molecular formula C16H18ClNO2 and molecular weight 291.10 g/mol. IUPAC: [(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate.
Chemical Property Profile of [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate
Property Insights of [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate
The XLogP value of 4.6191 indicates that [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate has 0 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 [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate?
The CAS number of [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate is 342591-70-2.
What is the molecular formula of [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate?
The molecular formula of [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate is C16H18ClNO2.
What is the molecular weight of [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate?
The molecular weight of [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate is 291.10 g/mol.
Where can I buy [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate?
You can request a quote for [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(3,5,5-Trimethylcyclohex-2-en-1-ylidene)amino] 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.