貝達喹啉
TL;DR: 貝達喹啉 (CAS 843663-66-1) is a chemical compound with molecular formula C32H31BrN2O2 and molecular weight 554.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
貝達喹啉
(1R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
Also Known As: (1R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol, (1R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol, (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol
| Molecular Formula | C32H31BrN2O2 |
|---|---|
| Molecular Weight | 554.16 g/mol |
| LogP | 7.1305 |
| Topological Polar Surface Area | 45.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 554.15686 |
| Heavy Atoms | 37 |
| Complexity | 1531.4993 |
Chemical Identifiers
| CAS Number | 843663-66-1 |
|---|---|
| SMILES | CN(C)CCC(C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O |
Product Overview
貝達喹啉 (CAS 843663-66-1), with molecular formula C32H31BrN2O2 and molecular weight 554.16 g/mol. IUPAC: (1R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol.
Chemical Property Profile of 貝達喹啉
Property Insights of 貝達喹啉
The XLogP value of 7.1305 indicates that 貝達喹啉 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.59 Ų, 貝達喹啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 貝達喹啉 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 貝達喹啉?
The CAS number of 貝達喹啉 is 843663-66-1.
What is the molecular formula of 貝達喹啉?
The molecular formula of 貝達喹啉 is C32H31BrN2O2.
What is the molecular weight of 貝達喹啉?
The molecular weight of 貝達喹啉 is 554.16 g/mol.
Where can I buy 貝達喹啉?
You can request a quote for 貝達喹啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 貝達喹啉?
Yes, KEHONG BIO provides custom synthesis services for 貝達喹啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.