CTK1H1619
TL;DR: CTK1H1619 (CAS 58722-69-3) is a chemical compound with molecular formula C28H30ClFN2O9S and molecular weight 624.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(but-2-enedioic acid);2-[4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
Also Known As: 4-(2-Chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate (1:2), 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)
| Molecular Formula | C28H30ClFN2O9S |
|---|---|
| Molecular Weight | 624.13 g/mol |
| LogP | 3.261 |
| Topological Polar Surface Area | 175.91 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 624.13446 |
| Heavy Atoms | 42 |
| Complexity | 1264.4539 |
Chemical Identifiers
| CAS Number | 58722-69-3 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=CC(=C4)F.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Product Overview
CTK1H1619 (CAS 58722-69-3), with molecular formula C28H30ClFN2O9S and molecular weight 624.13 g/mol. IUPAC: bis(but-2-enedioic acid);2-[4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of CTK1H1619
Property Insights of CTK1H1619
The XLogP value of 3.261 indicates that CTK1H1619 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.91 Ų indicates high polarity, suggesting CTK1H1619 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK1H1619 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK1H1619?
The CAS number of CTK1H1619 is 58722-69-3.
What is the molecular formula of CTK1H1619?
The molecular formula of CTK1H1619 is C28H30ClFN2O9S.
What is the molecular weight of CTK1H1619?
The molecular weight of CTK1H1619 is 624.13 g/mol.
Where can I buy CTK1H1619?
You can request a quote for CTK1H1619 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1H1619?
Yes, KEHONG BIO provides custom synthesis services for CTK1H1619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.