CTK5E8029
TL;DR: CTK5E8029 (CAS 80709-63-3) is a chemical compound with molecular formula C25H30N2O6S and molecular weight 486.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-(2,9-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: 1-(10,11-Dihydro-3,7-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate, 3,7-Dimethoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate, 1-(10,11-DIHYDRO-3,7-DIMETHOXYDIBENZO[B,F]THIEPIN-10-YL)-4-METHYLPIPER AZINE MALEATE, Piperazine, 1-(10,11-dihydro-3,7-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C25H30N2O6S |
|---|---|
| Molecular Weight | 486.18 g/mol |
| LogP | 3.4114 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.18246 |
| Heavy Atoms | 34 |
| Complexity | 1033.6965 |
Chemical Identifiers
| CAS Number | 80709-63-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=C(C=C3)OC)SC4=C2C=CC(=C4)OC.C(=CC(=O)O)C(=O)O |
Product Overview
CTK5E8029 (CAS 80709-63-3), with molecular formula C25H30N2O6S and molecular weight 486.18 g/mol. IUPAC: but-2-enedioic acid;1-(2,9-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of CTK5E8029
Property Insights of CTK5E8029
The XLogP value of 3.4114 indicates that CTK5E8029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.54 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5E8029. Following Lipinski's Rule of Five, CTK5E8029 has 2 hydrogen bond donor(s) and 7 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 CTK5E8029?
The CAS number of CTK5E8029 is 80709-63-3.
What is the molecular formula of CTK5E8029?
The molecular formula of CTK5E8029 is C25H30N2O6S.
What is the molecular weight of CTK5E8029?
The molecular weight of CTK5E8029 is 486.18 g/mol.
Where can I buy CTK5E8029?
You can request a quote for CTK5E8029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5E8029?
Yes, KEHONG BIO provides custom synthesis services for CTK5E8029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.