BAS 04378116
TL;DR: BAS 04378116 (CAS 346715-97-7) is a chemical compound with molecular formula C21H22F3NO4 and molecular weight 409.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 04378116, A2482/0105478, 2-methoxyethyl 2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methoxyethyl 2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-methoxyethyl 2-methyl-5-oxo-4-(4-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C21H22F3NO4 |
|---|---|
| Molecular Weight | 409.15 g/mol |
| LogP | 3.8629 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.1501 |
| Heavy Atoms | 29 |
| Complexity | 868.90753 |
Chemical Identifiers
| CAS Number | 346715-97-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)OCCOC |
Product Overview
BAS 04378116 (CAS 346715-97-7), with molecular formula C21H22F3NO4 and molecular weight 409.15 g/mol. IUPAC: 2-methoxyethyl 2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 04378116
Property Insights of BAS 04378116
The XLogP value of 3.8629 indicates that BAS 04378116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04378116. Following Lipinski's Rule of Five, BAS 04378116 has 1 hydrogen bond donor(s) and 5 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 04378116?
The CAS number of BAS 04378116 is 346715-97-7.
What is the molecular formula of BAS 04378116?
The molecular formula of BAS 04378116 is C21H22F3NO4.
What is the molecular weight of BAS 04378116?
The molecular weight of BAS 04378116 is 409.15 g/mol.
Where can I buy BAS 04378116?
You can request a quote for BAS 04378116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04378116?
Yes, KEHONG BIO provides custom synthesis services for BAS 04378116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.