RefChem:1074171
TL;DR: RefChem:1074171 (CAS 67238-95-3) is a chemical compound with molecular formula C24H31N3O8 and molecular weight 489.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-hydroxy-2-oxoacetate);11-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
Also Known As: 6H-Cyclohepta(b)quinoline 7,8,9,10-tetrahydro-11-(4-methylhexahydro-1H-1,4-diazepin-1-yl)-, dioxalate, monohydrate, 2-hydroxy-2-oxoacetate;11-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline, 6H-CYCLOHEPTA(b)QUINOLINE 7,8,9,10-TETRAHYDRO-11-(4-METHYLHEXAHYDRO-1H-1,4-DIAZE, 2-hydroxy-2-oxoacetate; 11-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline, 6H-Cyclohepta(b)quinoline 7,8,9,10-tetrahydro-11-(4-methylhexahydro-1H-1,4-diazepin-1-yl)-, dioxalate
| Molecular Formula | C24H31N3O8 |
|---|---|
| Molecular Weight | 489.21 g/mol |
| LogP | -3.42 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 489.21112 |
| Heavy Atoms | 35 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 67238-95-3 |
|---|---|
| SMILES | C[NH+]1CCC[NH+](CC1)C2=C3CCCCCC3=NC4=CC=CC=C42.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O |
| InChIKey | BBNWGUZEPIUGAT-UHFFFAOYSA-N |
Product Overview
RefChem:1074171 (CAS 67238-95-3), with molecular formula C24H31N3O8 and molecular weight 489.21 g/mol. IUPAC: bis(2-hydroxy-2-oxoacetate);11-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.
Chemical Property Profile of RefChem:1074171
Property Insights of RefChem:1074171
The XLogP value of -3.42 indicates that RefChem:1074171 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.0 Ų indicates high polarity, suggesting RefChem:1074171 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1074171 has 4 hydrogen bond donor(s) and 9 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:1074171?
The CAS number of RefChem:1074171 is 67238-95-3.
What is the molecular formula of RefChem:1074171?
The molecular formula of RefChem:1074171 is C24H31N3O8.
What is the molecular weight of RefChem:1074171?
The molecular weight of RefChem:1074171 is 489.21 g/mol.
Where can I buy RefChem:1074171?
You can request a quote for RefChem:1074171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074171?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.