CTK5A9402
TL;DR: CTK5A9402 (CAS 59083-87-3) is a chemical compound with molecular formula C19H26N2O6S and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;ethyl 4-[(3-methylsulfanylphenyl)methyl]piperazine-1-carboxylate
Also Known As: ETHYL 4-[(3-METHYLSULFANYLPHENYL)METHYL]PIPERAZINE-1-CARBOXYLATE MALEATE, 1-Piperazinecarboxylic acid, 4-((3-(methylthio)phenyl)methyl)-, ethyl ester, (Z)-2-butenedioate (1:1)
| Molecular Formula | C19H26N2O6S |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 2.3944 |
| Topological Polar Surface Area | 107.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.15115 |
| Heavy Atoms | 28 |
| Complexity | 670.75635 |
Chemical Identifiers
| CAS Number | 59083-87-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=CC(=CC=C2)SC.C(=CC(=O)O)C(=O)O |
Product Overview
CTK5A9402 (CAS 59083-87-3), with molecular formula C19H26N2O6S and molecular weight 410.15 g/mol. IUPAC: but-2-enedioic acid;ethyl 4-[(3-methylsulfanylphenyl)methyl]piperazine-1-carboxylate.
Chemical Property Profile of CTK5A9402
Property Insights of CTK5A9402
The XLogP value of 2.3944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5A9402. The TPSA of 107.38 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5A9402. Following Lipinski's Rule of Five, CTK5A9402 has 2 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 CTK5A9402?
The CAS number of CTK5A9402 is 59083-87-3.
What is the molecular formula of CTK5A9402?
The molecular formula of CTK5A9402 is C19H26N2O6S.
What is the molecular weight of CTK5A9402?
The molecular weight of CTK5A9402 is 410.15 g/mol.
Where can I buy CTK5A9402?
You can request a quote for CTK5A9402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5A9402?
Yes, KEHONG BIO provides custom synthesis services for CTK5A9402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.