CTK3F0294
TL;DR: CTK3F0294 (CAS 86759-02-6) is a chemical compound with molecular formula C27H28ClN3O2S and molecular weight 493.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]-2-ethoxyphenol
Also Known As: Phenol, 4-(((4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)imino)methyl)-2-ethoxy-
| Molecular Formula | C27H28ClN3O2S |
|---|---|
| Molecular Weight | 493.16 g/mol |
| LogP | 5.8444 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.1591 |
| Heavy Atoms | 34 |
| Complexity | 1194.2428 |
Chemical Identifiers
| CAS Number | 86759-02-6 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=NN2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl)O |
Product Overview
CTK3F0294 (CAS 86759-02-6), with molecular formula C27H28ClN3O2S and molecular weight 493.16 g/mol. IUPAC: 4-[[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]-2-ethoxyphenol.
Chemical Property Profile of CTK3F0294
Property Insights of CTK3F0294
The XLogP value of 5.8444 indicates that CTK3F0294 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, CTK3F0294 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK3F0294 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK3F0294?
The CAS number of CTK3F0294 is 86759-02-6.
What is the molecular formula of CTK3F0294?
The molecular formula of CTK3F0294 is C27H28ClN3O2S.
What is the molecular weight of CTK3F0294?
The molecular weight of CTK3F0294 is 493.16 g/mol.
Where can I buy CTK3F0294?
You can request a quote for CTK3F0294 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3F0294?
Yes, KEHONG BIO provides custom synthesis services for CTK3F0294 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.