Cyanothepin maleate
TL;DR: Cyanothepin maleate (CAS 29419-99-6) is a chemical compound with molecular formula C24H25N3O4S and molecular weight 451.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-hydroxy-4-oxobut-2-enoate;5-(4-methylpiperazin-1-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile
Also Known As: Cyanothepin maleate, Dibenzo(b,f)thiepin-2-carbonitrile, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, maleate (1:1), 8-Cyano-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate, 10,11-Dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-carbonitrile maleate, (Z)-4-hydroxy-4-oxobut-2-enoate; 5-(4-methylpiperazin-1-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile
| Molecular Formula | C24H25N3O4S |
|---|---|
| Molecular Weight | 451.16 g/mol |
| LogP | 0.51408 |
| Topological Polar Surface Area | 108.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.1566 |
| Heavy Atoms | 32 |
| Complexity | 1039.4501 |
Chemical Identifiers
| CAS Number | 29419-99-6 |
|---|---|
| SMILES | CN1CC[NH+](CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)C#N.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Cyanothepin maleate (CAS 29419-99-6), with molecular formula C24H25N3O4S and molecular weight 451.16 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;5-(4-methylpiperazin-1-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile.
Chemical Property Profile of Cyanothepin maleate
Property Insights of Cyanothepin maleate
The XLogP value of 0.51408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanothepin maleate. The TPSA of 108.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanothepin maleate. Following Lipinski's Rule of Five, Cyanothepin maleate 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 Cyanothepin maleate?
The CAS number of Cyanothepin maleate is 29419-99-6.
What is the molecular formula of Cyanothepin maleate?
The molecular formula of Cyanothepin maleate is C24H25N3O4S.
What is the molecular weight of Cyanothepin maleate?
The molecular weight of Cyanothepin maleate is 451.16 g/mol.
Where can I buy Cyanothepin maleate?
You can request a quote for Cyanothepin maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanothepin maleate?
Yes, KEHONG BIO provides custom synthesis services for Cyanothepin maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.