CTK5E9878
TL;DR: CTK5E9878 (CAS 82619-59-8) is a chemical compound with molecular formula C20H23N5O5S and molecular weight 445.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;2-[4-(5-thia-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,6,8,11,13-hexaen-8-yl)piperazin-1-yl]ethanol
Also Known As: 2-(4-(10H-Pyrido[3,2-b]thieno[3,4-e][1,4]diazepin-6-yl)-1-piperazinyl)ethanol 2-butenedioate
| Molecular Formula | C20H23N5O5S |
|---|---|
| Molecular Weight | 445.14 g/mol |
| LogP | 1.6001 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.142 |
| Heavy Atoms | 31 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 82619-59-8 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2=NC3=C(NC4=CSC=C42)N=CC=C3.C(=CC(=O)O)C(=O)O |
| InChIKey | KWMNMZCQPJGVAL-UHFFFAOYSA-N |
Product Overview
CTK5E9878 (CAS 82619-59-8), with molecular formula C20H23N5O5S and molecular weight 445.14 g/mol. IUPAC: but-2-enedioic acid;2-[4-(5-thia-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),3,6,8,11,13-hexaen-8-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of CTK5E9878
Property Insights of CTK5E9878
The XLogP value of 1.6001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5E9878. The TPSA of 167.0 Ų indicates high polarity, suggesting CTK5E9878 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK5E9878 has 4 hydrogen bond donor(s) and 10 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 CTK5E9878?
The CAS number of CTK5E9878 is 82619-59-8.
What is the molecular formula of CTK5E9878?
The molecular formula of CTK5E9878 is C20H23N5O5S.
What is the molecular weight of CTK5E9878?
The molecular weight of CTK5E9878 is 445.14 g/mol.
Where can I buy CTK5E9878?
You can request a quote for CTK5E9878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5E9878?
Yes, KEHONG BIO provides custom synthesis services for CTK5E9878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.