AE-641/30117024
TL;DR: AE-641/30117024 (CAS 70931-34-9) is a chemical compound with molecular formula C29H32F2N2S and molecular weight 478.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-fluorophenyl)ethyl]-4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: AE-641/30117024, 1-[2-(4-fluorophenyl)ethyl]-4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine, 1-[3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-4-[2-(4-fluorophenyl)ethyl]piperazine, 1-(3-fluoro-8-isopropyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine
| Molecular Formula | C29H32F2N2S |
|---|---|
| Molecular Weight | 478.23 g/mol |
| LogP | 6.6969 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.22543 |
| Heavy Atoms | 34 |
| Complexity | 1137.3676 |
Chemical Identifiers
| CAS Number | 70931-34-9 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCC5=CC=C(C=C5)F)C=CC(=C3)F |
Product Overview
AE-641/30117024 (CAS 70931-34-9), with molecular formula C29H32F2N2S and molecular weight 478.23 g/mol. IUPAC: 1-[2-(4-fluorophenyl)ethyl]-4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of AE-641/30117024
Property Insights of AE-641/30117024
The XLogP value of 6.6969 indicates that AE-641/30117024 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, AE-641/30117024 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-641/30117024 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-641/30117024?
The CAS number of AE-641/30117024 is 70931-34-9.
What is the molecular formula of AE-641/30117024?
The molecular formula of AE-641/30117024 is C29H32F2N2S.
What is the molecular weight of AE-641/30117024?
The molecular weight of AE-641/30117024 is 478.23 g/mol.
Where can I buy AE-641/30117024?
You can request a quote for AE-641/30117024 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/30117024?
Yes, KEHONG BIO provides custom synthesis services for AE-641/30117024 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.