AP-970/42784330
TL;DR: AP-970/42784330 (CAS 774554-87-9) is a chemical compound with molecular formula C22H22BrFN2O2 and molecular weight 444.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
Also Known As: AP-970/42784330, N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine, N-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzyl}-N-(4-pyridinylmethyl)amine, 1-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-N-(pyridin-4-ylmethyl)methanamine
| Molecular Formula | C22H22BrFN2O2 |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 5.2507 |
| Topological Polar Surface Area | 43.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 444.08487 |
| Heavy Atoms | 28 |
| Complexity | 889.0435 |
Chemical Identifiers
| CAS Number | 774554-87-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)CNCC2=CC=NC=C2)Br)OCC3=CC=C(C=C3)F |
Product Overview
AP-970/42784330 (CAS 774554-87-9), with molecular formula C22H22BrFN2O2 and molecular weight 444.08 g/mol. IUPAC: N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine.
Chemical Property Profile of AP-970/42784330
Property Insights of AP-970/42784330
The XLogP value of 5.2507 indicates that AP-970/42784330 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.38 Ų, AP-970/42784330 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AP-970/42784330 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 AP-970/42784330?
The CAS number of AP-970/42784330 is 774554-87-9.
What is the molecular formula of AP-970/42784330?
The molecular formula of AP-970/42784330 is C22H22BrFN2O2.
What is the molecular weight of AP-970/42784330?
The molecular weight of AP-970/42784330 is 444.08 g/mol.
Where can I buy AP-970/42784330?
You can request a quote for AP-970/42784330 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42784330?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42784330 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.