RefChem:1073425
TL;DR: RefChem:1073425 (CAS 34137-62-7) is a chemical compound with molecular formula C23H26N2O6 and molecular weight 426.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-azoniatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carbonyloxy)ethyl-dimethylazanium;(E)-but-2-enedioate
Also Known As: 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylic acid, 10,11-dihydro-, 2-(dimethylamino)ethyl ester, fumarate (1:1), 5H-BENZO(4,5)CYCLOHEPTA(1,2-b)PYRIDINE-5-CARBOXYLIC ACID, 10,11-DIHYDRO-, 2-(DIM, RefChem:1073425
| Molecular Formula | C23H26N2O6 |
|---|---|
| Molecular Weight | 426.18 g/mol |
| LogP | -2.5387 |
| Topological Polar Surface Area | 125.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.17908 |
| Heavy Atoms | 31 |
| Complexity | 891.0878 |
Chemical Identifiers
| CAS Number | 34137-62-7 |
|---|---|
| SMILES | C[NH+](C)CCOC(=O)C1C2=C(CCC3=CC=CC=C13)[NH+]=CC=C2.C(=C/C(=O)[O-])\C(=O)[O-] |
Product Overview
RefChem:1073425 (CAS 34137-62-7), with molecular formula C23H26N2O6 and molecular weight 426.18 g/mol. IUPAC: 2-(7-azoniatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carbonyloxy)ethyl-dimethylazanium;(E)-but-2-enedioate.
Chemical Property Profile of RefChem:1073425
Property Insights of RefChem:1073425
The XLogP value of -2.5387 indicates that RefChem:1073425 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.14 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073425. Following Lipinski's Rule of Five, RefChem:1073425 has 1 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 RefChem:1073425?
The CAS number of RefChem:1073425 is 34137-62-7.
What is the molecular formula of RefChem:1073425?
The molecular formula of RefChem:1073425 is C23H26N2O6.
What is the molecular weight of RefChem:1073425?
The molecular weight of RefChem:1073425 is 426.18 g/mol.
Where can I buy RefChem:1073425?
You can request a quote for RefChem:1073425 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073425?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073425 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.