AP-970/42837307
TL;DR: AP-970/42837307 (CAS 774553-57-0) is a chemical compound with molecular formula C18H20ClN5OS and molecular weight 389.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
Also Known As: AP-970/42837307, N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine, N-{2-[(2-chlorobenzyl)oxy]benzyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine, [2-(2-Chloro-benzyloxy)-benzyl]-[2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-ethyl]-amine, N-{2-[(2-chlorobenzyl)oxy]benzyl}-N-{2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]ethyl}amine
| Molecular Formula | C18H20ClN5OS |
|---|---|
| Molecular Weight | 389.11 g/mol |
| LogP | 3.3244 |
| Topological Polar Surface Area | 64.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.1077 |
| Heavy Atoms | 26 |
| Complexity | 841.7086 |
Chemical Identifiers
| CAS Number | 774553-57-0 |
|---|---|
| SMILES | CN1C(=NN=N1)SCCNCC2=CC=CC=C2OCC3=CC=CC=C3Cl |
Product Overview
AP-970/42837307 (CAS 774553-57-0), with molecular formula C18H20ClN5OS and molecular weight 389.11 g/mol. IUPAC: N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine.
Chemical Property Profile of AP-970/42837307
Property Insights of AP-970/42837307
The XLogP value of 3.3244 indicates that AP-970/42837307 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-970/42837307. Following Lipinski's Rule of Five, AP-970/42837307 has 1 hydrogen bond donor(s) and 6 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-970/42837307?
The CAS number of AP-970/42837307 is 774553-57-0.
What is the molecular formula of AP-970/42837307?
The molecular formula of AP-970/42837307 is C18H20ClN5OS.
What is the molecular weight of AP-970/42837307?
The molecular weight of AP-970/42837307 is 389.11 g/mol.
Where can I buy AP-970/42837307?
You can request a quote for AP-970/42837307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42837307?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42837307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.