RefChem:1073419
TL;DR: RefChem:1073419 (CAS 34137-59-2) is a chemical compound with molecular formula C30H33N3O4 and molecular weight 499.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioate;2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-7-azoniatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
Also Known As: 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-5-(4-(m-methylbenzyl)-1-piperazinyl)-, maleate (1:1), 5H-BENZO(4,5)CYCLOHEPTA(1,2-b)PYRIDINE, 10,11-DIHYDRO-5-(4-(m-METHYLBENZYL)-1-PI, RefChem:1073419
| Molecular Formula | C30H33N3O4 |
|---|---|
| Molecular Weight | 499.25 g/mol |
| LogP | -0.55978 |
| Topological Polar Surface Area | 102.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.2471 |
| Heavy Atoms | 37 |
| Complexity | 1201.4412 |
Chemical Identifiers
| CAS Number | 34137-59-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3C4=C(CCC5=CC=CC=C35)[NH+]=CC=C4.C(=C\C(=O)[O-])\C(=O)[O-] |
Product Overview
RefChem:1073419 (CAS 34137-59-2), with molecular formula C30H33N3O4 and molecular weight 499.25 g/mol. IUPAC: (Z)-but-2-enedioate;2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-7-azoniatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.
Chemical Property Profile of RefChem:1073419
Property Insights of RefChem:1073419
The XLogP value of -0.55978 indicates that RefChem:1073419 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073419. Following Lipinski's Rule of Five, RefChem:1073419 has 1 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:1073419?
The CAS number of RefChem:1073419 is 34137-59-2.
What is the molecular formula of RefChem:1073419?
The molecular formula of RefChem:1073419 is C30H33N3O4.
What is the molecular weight of RefChem:1073419?
The molecular weight of RefChem:1073419 is 499.25 g/mol.
Where can I buy RefChem:1073419?
You can request a quote for RefChem:1073419 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073419?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073419 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.