AP-970/42784338
TL;DR: AP-970/42784338 (CAS 865857-44-9) is a chemical compound with molecular formula C20H23BrFN5O2S and molecular weight 495.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
Also Known As: AP-970/42784338, N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine, N-{3-bromo-5-ethoxy-4-[(2-fluorobenzyl)oxy]benzyl}-N-{2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]ethyl}amine, [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-[2-[(1-methyltetrazol-5-yl)thio]ethyl]amine;hydrochloride, N-[[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine;hydrochloride
| Molecular Formula | C20H23BrFN5O2S |
|---|---|
| Molecular Weight | 495.07 g/mol |
| LogP | 3.9713 |
| Topological Polar Surface Area | 74.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 495.074 |
| Heavy Atoms | 30 |
| Complexity | 972.11993 |
Chemical Identifiers
| CAS Number | 865857-44-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)CNCCSC2=NN=NN2C)Br)OCC3=CC=CC=C3F |
Product Overview
AP-970/42784338 (CAS 865857-44-9), with molecular formula C20H23BrFN5O2S and molecular weight 495.07 g/mol. IUPAC: N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine.
Chemical Property Profile of AP-970/42784338
Property Insights of AP-970/42784338
The XLogP value of 3.9713 indicates that AP-970/42784338 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-970/42784338. Following Lipinski's Rule of Five, AP-970/42784338 has 1 hydrogen bond donor(s) and 7 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 AP-970/42784338?
The CAS number of AP-970/42784338 is 865857-44-9.
What is the molecular formula of AP-970/42784338?
The molecular formula of AP-970/42784338 is C20H23BrFN5O2S.
What is the molecular weight of AP-970/42784338?
The molecular weight of AP-970/42784338 is 495.07 g/mol.
Where can I buy AP-970/42784338?
You can request a quote for AP-970/42784338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42784338?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42784338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.