A1846/0077668
TL;DR: A1846/0077668 (CAS 312315-86-9) is a chemical compound with molecular formula C25H24BrFN2O3 and molecular weight 498.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-(4-bromophenyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate
Also Known As: A1846/0077668, methyl 2-amino-4-(4-bromophenyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, Methyl 2-amino-4-(4-bromophenyl)-1-(2-fluorophenyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3-quinolinecarboxylate, methyl 2-amino-4-(4-bromophenyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate
| Molecular Formula | C25H24BrFN2O3 |
|---|---|
| Molecular Weight | 498.10 g/mol |
| LogP | 5.1785 |
| Topological Polar Surface Area | 72.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.09543 |
| Heavy Atoms | 32 |
| Complexity | 1167.9645 |
Chemical Identifiers
| CAS Number | 312315-86-9 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3F)N)C(=O)OC)C4=CC=C(C=C4)Br)C(=O)C1)C |
Product Overview
A1846/0077668 (CAS 312315-86-9), with molecular formula C25H24BrFN2O3 and molecular weight 498.10 g/mol. IUPAC: methyl 2-amino-4-(4-bromophenyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate.
Chemical Property Profile of A1846/0077668
Property Insights of A1846/0077668
The XLogP value of 5.1785 indicates that A1846/0077668 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.63 Ų falls within the moderate polarity range, balancing permeability and solubility for A1846/0077668. Following Lipinski's Rule of Five, A1846/0077668 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1846/0077668?
The CAS number of A1846/0077668 is 312315-86-9.
What is the molecular formula of A1846/0077668?
The molecular formula of A1846/0077668 is C25H24BrFN2O3.
What is the molecular weight of A1846/0077668?
The molecular weight of A1846/0077668 is 498.10 g/mol.
Where can I buy A1846/0077668?
You can request a quote for A1846/0077668 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1846/0077668?
Yes, KEHONG BIO provides custom synthesis services for A1846/0077668 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.