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Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate
TL;DR: Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate (CAS 632292-37-6) is a chemical compound with molecular formula C16H21NO2 and molecular weight 259.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-methylanilino)cyclohexene-1-carboxylate
Also Known As: ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate, ethyl 2-(4-methylanilino)cyclohexene-1-carboxylate, ethyl 2-(4-toluidino)-1-cyclohexene-1-carboxylate, Ethyl 2-(p-tolylamino)cyclohex-1-ene-1-carboxylate, Ethyl2-(p-tolylamino)cyclohex-1-enecarboxylate
| Molecular Formula | C16H21NO2 |
|---|---|
| Molecular Weight | 259.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.15723 |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 632292-37-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(CCCC1)NC2=CC=C(C=C2)C |
| InChIKey | IOXSBEMQDJJFLB-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate (CAS 632292-37-6), with molecular formula C16H21NO2 and molecular weight 259.16 g/mol. IUPAC: ethyl 2-(4-methylanilino)cyclohexene-1-carboxylate.
Chemical Property Profile of Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate
Property Insights of Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate
The XLogP value of 4.4 indicates that Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate 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 Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate?
The CAS number of Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate is 632292-37-6.
What is the molecular formula of Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate?
The molecular formula of Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate is C16H21NO2.
What is the molecular weight of Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate?
The molecular weight of Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate is 259.16 g/mol.
Where can I buy Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate?
You can request a quote for Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(4-methylphenyl)amino]cyclohex-1-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.