CTK2F4186
TL;DR: CTK2F4186 (CAS 69231-67-0) is a chemical compound with molecular formula C23H25ClN2O5S and molecular weight 476.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-(3-chloro-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: 8-Chloro-3-methoxy-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin maleate, Piperazine, 1-(8-chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C23H25ClN2O5S |
|---|---|
| Molecular Weight | 476.12 g/mol |
| LogP | 3.714 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.11728 |
| Heavy Atoms | 32 |
| Complexity | 991.8764 |
Chemical Identifiers
| CAS Number | 69231-67-0 |
|---|---|
| SMILES | COC1=CC2=C(CC(C3=C(S2)C=CC(=C3)Cl)N4CCNCC4)C=C1.C(=CC(=O)O)C(=O)O |
Product Overview
CTK2F4186 (CAS 69231-67-0), with molecular formula C23H25ClN2O5S and molecular weight 476.12 g/mol. IUPAC: but-2-enedioic acid;1-(3-chloro-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of CTK2F4186
Property Insights of CTK2F4186
The XLogP value of 3.714 indicates that CTK2F4186 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK2F4186. Following Lipinski's Rule of Five, CTK2F4186 has 3 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 CTK2F4186?
The CAS number of CTK2F4186 is 69231-67-0.
What is the molecular formula of CTK2F4186?
The molecular formula of CTK2F4186 is C23H25ClN2O5S.
What is the molecular weight of CTK2F4186?
The molecular weight of CTK2F4186 is 476.12 g/mol.
Where can I buy CTK2F4186?
You can request a quote for CTK2F4186 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK2F4186?
Yes, KEHONG BIO provides custom synthesis services for CTK2F4186 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.