BAS 00380784
TL;DR: BAS 00380784 (CAS 78050-80-3) is a chemical compound with molecular formula C22H24F3NO3 and molecular weight 407.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00380784, J2.747.657K, 5-Oxo-2,7,7-trimethyl-4-(o-trifluorophenyl)-3-ethoxycarbonyl-1,4,5,6,7,8-hexahydroquinoline, 3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-5-oxo-4-(2-(trifluoromethyl)phenyl)-2,7,7-trimethyl-, ethyl ester, ethyl 2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C22H24F3NO3 |
|---|---|
| Molecular Weight | 407.17 g/mol |
| LogP | 4.8725 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.17084 |
| Heavy Atoms | 29 |
| Complexity | 925.47534 |
Chemical Identifiers
| CAS Number | 78050-80-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3C(F)(F)F)C(=O)CC(C2)(C)C)C |
Product Overview
BAS 00380784 (CAS 78050-80-3), with molecular formula C22H24F3NO3 and molecular weight 407.17 g/mol. IUPAC: ethyl 2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00380784
Property Insights of BAS 00380784
The XLogP value of 4.8725 indicates that BAS 00380784 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00380784 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00380784 has 1 hydrogen bond donor(s) and 4 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 BAS 00380784?
The CAS number of BAS 00380784 is 78050-80-3.
What is the molecular formula of BAS 00380784?
The molecular formula of BAS 00380784 is C22H24F3NO3.
What is the molecular weight of BAS 00380784?
The molecular weight of BAS 00380784 is 407.17 g/mol.
Where can I buy BAS 00380784?
You can request a quote for BAS 00380784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00380784?
Yes, KEHONG BIO provides custom synthesis services for BAS 00380784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.