AP-970/42225467
TL;DR: AP-970/42225467 (CAS 774546-29-1) is a chemical compound with molecular formula C23H27NO4S and molecular weight 413.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
Also Known As: AP-970/42225467, 2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine, [2-(3,4-Dimethoxy-phenyl)-ethyl]-[3-methoxy-4-(thiophen-2-ylmethoxy)-benzyl]-amine, [2-(3,4-dimethoxyphenyl)ethyl]{[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl}am ine
| Molecular Formula | C23H27NO4S |
|---|---|
| Molecular Weight | 413.17 g/mol |
| LogP | 4.6852 |
| Topological Polar Surface Area | 48.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 413.16608 |
| Heavy Atoms | 29 |
| Complexity | 895.89844 |
Chemical Identifiers
| CAS Number | 774546-29-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNCC2=CC(=C(C=C2)OCC3=CC=CS3)OC)OC |
Product Overview
AP-970/42225467 (CAS 774546-29-1), with molecular formula C23H27NO4S and molecular weight 413.17 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine.
Chemical Property Profile of AP-970/42225467
Property Insights of AP-970/42225467
The XLogP value of 4.6852 indicates that AP-970/42225467 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.95 Ų, AP-970/42225467 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AP-970/42225467 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-970/42225467?
The CAS number of AP-970/42225467 is 774546-29-1.
What is the molecular formula of AP-970/42225467?
The molecular formula of AP-970/42225467 is C23H27NO4S.
What is the molecular weight of AP-970/42225467?
The molecular weight of AP-970/42225467 is 413.17 g/mol.
Where can I buy AP-970/42225467?
You can request a quote for AP-970/42225467 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42225467?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42225467 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.