AE-641/30150045
TL;DR: AE-641/30150045 (CAS 47484-93-5) is a chemical compound with molecular formula C20H21F3N2S and molecular weight 378.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
Also Known As: AE-641/30150045, 1-methyl-4-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 10,11-Dihydro-10-(4-methylpiperazino)-7-trifluoromethyldibenzo[b,f]thiepin, 10,11-dihydro-10-7-trifluoromethyldibenzo[b,f]thiepin, 10,11-Dihydro-10- -7-trifluoromethyldibenzo[b,f]thiepin
| Molecular Formula | C20H21F3N2S |
|---|---|
| Molecular Weight | 378.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 378.13776 |
| Heavy Atoms | 26 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 47484-93-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=CC(=C4)C(F)(F)F |
| InChIKey | LYSTXBLNUSUUQY-UHFFFAOYSA-N |
Product Overview
AE-641/30150045 (CAS 47484-93-5), with molecular formula C20H21F3N2S and molecular weight 378.14 g/mol. IUPAC: 1-methyl-4-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine.
Chemical Property Profile of AE-641/30150045
Property Insights of AE-641/30150045
The XLogP value of 4.6 indicates that AE-641/30150045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.8 Ų, AE-641/30150045 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-641/30150045 has 0 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 AE-641/30150045?
The CAS number of AE-641/30150045 is 47484-93-5.
What is the molecular formula of AE-641/30150045?
The molecular formula of AE-641/30150045 is C20H21F3N2S.
What is the molecular weight of AE-641/30150045?
The molecular weight of AE-641/30150045 is 378.14 g/mol.
Where can I buy AE-641/30150045?
You can request a quote for AE-641/30150045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/30150045?
Yes, KEHONG BIO provides custom synthesis services for AE-641/30150045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.