RefChem:1071897
TL;DR: RefChem:1071897 (CAS 53924-76-8) is a chemical compound with molecular formula C23H26N2O4S and molecular weight 426.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-hydroxy-4-oxobut-2-enoate;5-methyl-2-(1-methylpiperidin-1-ium-4-ylidene)-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene
Also Known As: 4H-Benzo(5,6)cyclohepta(1,2-d)thiazole, 9,10-dihydro-2-methyl-4-(1-methyl-4-piperidylidene)-, fumarate (1:1), 4H-BENZO(5,6)CYCLOHEPTA(1,2-d)THIAZOLE, 9,10-DIHYDRO-2-METHYL-4-(1-METHYL-4-PIPE, RefChem:1071897
| Molecular Formula | C23H26N2O4S |
|---|---|
| Molecular Weight | 426.16 g/mol |
| LogP | 1.03762 |
| Topological Polar Surface Area | 94.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.16132 |
| Heavy Atoms | 30 |
| Complexity | 980.3821 |
Chemical Identifiers
| CAS Number | 53924-76-8 |
|---|---|
| SMILES | CC1=NC2=C(S1)CCC3=CC=CC=C3C2=C4CC[NH+](CC4)C.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1071897 (CAS 53924-76-8), with molecular formula C23H26N2O4S and molecular weight 426.16 g/mol. IUPAC: (E)-4-hydroxy-4-oxobut-2-enoate;5-methyl-2-(1-methylpiperidin-1-ium-4-ylidene)-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene.
Chemical Property Profile of RefChem:1071897
Property Insights of RefChem:1071897
The XLogP value of 1.03762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071897. The TPSA of 94.76 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071897. Following Lipinski's Rule of Five, RefChem:1071897 has 2 hydrogen bond donor(s) and 5 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 RefChem:1071897?
The CAS number of RefChem:1071897 is 53924-76-8.
What is the molecular formula of RefChem:1071897?
The molecular formula of RefChem:1071897 is C23H26N2O4S.
What is the molecular weight of RefChem:1071897?
The molecular weight of RefChem:1071897 is 426.16 g/mol.
Where can I buy RefChem:1071897?
You can request a quote for RefChem:1071897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071897?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.