CTK5F7169
TL;DR: CTK5F7169 (CAS 86758-98-7) is a chemical compound with molecular formula C25H24ClN3OS and molecular weight 449.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]phenol
Also Known As: (9Z,12E)-9,12-Tetradecadien-1-ol, Phenol,2-[[[4-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]imino]methyl]-
| Molecular Formula | C25H24ClN3OS |
|---|---|
| Molecular Weight | 449.13 g/mol |
| LogP | 5.4457 |
| Topological Polar Surface Area | 39.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.13287 |
| Heavy Atoms | 31 |
| Complexity | 1111.4261 |
Chemical Identifiers
| CAS Number | 86758-98-7 |
|---|---|
| SMILES | C1CN(CCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)N=CC5=CC=CC=C5O |
Product Overview
CTK5F7169 (CAS 86758-98-7), with molecular formula C25H24ClN3OS and molecular weight 449.13 g/mol. IUPAC: 2-[[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]phenol.
Chemical Property Profile of CTK5F7169
Property Insights of CTK5F7169
The XLogP value of 5.4457 indicates that CTK5F7169 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.07 Ų, CTK5F7169 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK5F7169 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5F7169?
The CAS number of CTK5F7169 is 86758-98-7.
What is the molecular formula of CTK5F7169?
The molecular formula of CTK5F7169 is C25H24ClN3OS.
What is the molecular weight of CTK5F7169?
The molecular weight of CTK5F7169 is 449.13 g/mol.
Where can I buy CTK5F7169?
You can request a quote for CTK5F7169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5F7169?
Yes, KEHONG BIO provides custom synthesis services for CTK5F7169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.