CTK5F7171
TL;DR: CTK5F7171 (CAS 86759-00-4) is a chemical compound with molecular formula C27H29N3O2S and molecular weight 459.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]-2-ethoxyphenol
Also Known As: Phenol,4-[[[4-(10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]imino]methyl]-2-ethoxy-
| Molecular Formula | C27H29N3O2S |
|---|---|
| Molecular Weight | 459.20 g/mol |
| LogP | 5.191 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.19806 |
| Heavy Atoms | 33 |
| Complexity | 1141.7153 |
Chemical Identifiers
| CAS Number | 86759-00-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=NN2CCN(CC2)C3CC4=CC=CC=C4SC5=CC=CC=C35)O |
Product Overview
CTK5F7171 (CAS 86759-00-4), with molecular formula C27H29N3O2S and molecular weight 459.20 g/mol. IUPAC: 4-[[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]-2-ethoxyphenol.
Chemical Property Profile of CTK5F7171
Property Insights of CTK5F7171
The XLogP value of 5.191 indicates that CTK5F7171 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, CTK5F7171 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK5F7171 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 CTK5F7171?
The CAS number of CTK5F7171 is 86759-00-4.
What is the molecular formula of CTK5F7171?
The molecular formula of CTK5F7171 is C27H29N3O2S.
What is the molecular weight of CTK5F7171?
The molecular weight of CTK5F7171 is 459.20 g/mol.
Where can I buy CTK5F7171?
You can request a quote for CTK5F7171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5F7171?
Yes, KEHONG BIO provides custom synthesis services for CTK5F7171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.