BAS 04378252
TL;DR: BAS 04378252 (CAS 347314-58-3) is a chemical compound with molecular formula C21H22F3NO3 and molecular weight 393.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 04378252, methyl 2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, A2551/0108644, methyl 2,7,7-trimethyl-5-oxo-4-(4-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,6,7,8-pentahydr oquinoline-3-carboxylate
| Molecular Formula | C21H22F3NO3 |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 4.4824 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.15518 |
| Heavy Atoms | 28 |
| Complexity | 892.46606 |
Chemical Identifiers
| CAS Number | 347314-58-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(F)(F)F)C(=O)OC |
Product Overview
BAS 04378252 (CAS 347314-58-3), with molecular formula C21H22F3NO3 and molecular weight 393.16 g/mol. IUPAC: methyl 2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 04378252
Property Insights of BAS 04378252
The XLogP value of 4.4824 indicates that BAS 04378252 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 04378252 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04378252 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 04378252?
The CAS number of BAS 04378252 is 347314-58-3.
What is the molecular formula of BAS 04378252?
The molecular formula of BAS 04378252 is C21H22F3NO3.
What is the molecular weight of BAS 04378252?
The molecular weight of BAS 04378252 is 393.16 g/mol.
Where can I buy BAS 04378252?
You can request a quote for BAS 04378252 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04378252?
Yes, KEHONG BIO provides custom synthesis services for BAS 04378252 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.