CE12
TL;DR: CE12 (CAS 292853-27-1) is a chemical compound with molecular formula C21H23Cl2NO3 and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: CE12, BAS 00380993, UPCMLD0ENAT0400-0865:001, J2.143.454J, ethyl 4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C21H23Cl2NO3 |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 5.1605 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.1055 |
| Heavy Atoms | 27 |
| Complexity | 883.41296 |
Chemical Identifiers
| CAS Number | 292853-27-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=C(C=C(C=C3)Cl)Cl)C(=O)CC(C2)(C)C)C |
Product Overview
CE12 (CAS 292853-27-1), with molecular formula C21H23Cl2NO3 and molecular weight 407.11 g/mol. IUPAC: ethyl 4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of CE12
Property Insights of CE12
The XLogP value of 5.1605 indicates that CE12 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, CE12 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CE12 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CE12?
The CAS number of CE12 is 292853-27-1.
What is the molecular formula of CE12?
The molecular formula of CE12 is C21H23Cl2NO3.
What is the molecular weight of CE12?
The molecular weight of CE12 is 407.11 g/mol.
Where can I buy CE12?
You can request a quote for CE12 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CE12?
Yes, KEHONG BIO provides custom synthesis services for CE12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.