RefChem:236859
TL;DR: RefChem:236859 (CAS 67767-01-5) is a chemical compound with molecular formula C46H64N6O8 and molecular weight 828.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(diethyl-[2-(15-oxo-1,9-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-2(8),9,11,14(17)-tetraen-13-yl)ethyl]azanium);(2R,3R)-2,3-dihydroxybutanedioate
Also Known As: 1H,7H-Cyclohepta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9,10,11-tetrahydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), 1H,7H-CYCLOHEPTA(4,5)PYRROLO(1,2,3-de)QUINOXALIN-2(3H)-ONE, 8,9,10,11-TETRAHYDRO, RefChem:236859
| Molecular Formula | C46H64N6O8 |
|---|---|
| Molecular Weight | 828.48 g/mol |
| LogP | -0.28 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 828.4786 |
| Heavy Atoms | 60 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 67767-01-5 |
|---|---|
| SMILES | CC[NH+](CC)CCC1C=CC2=NC3=C(CCCCC3)N4C2=C1C(=O)C4.CC[NH+](CC)CCC1C=CC2=NC3=C(CCCCC3)N4C2=C1C(=O)C4.[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O |
| InChIKey | XJPCDHCGIUXILD-CEAXSRTFSA-N |
Product Overview
RefChem:236859 (CAS 67767-01-5), with molecular formula C46H64N6O8 and molecular weight 828.48 g/mol. IUPAC: bis(diethyl-[2-(15-oxo-1,9-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-2(8),9,11,14(17)-tetraen-13-yl)ethyl]azanium);(2R,3R)-2,3-dihydroxybutanedioate.
Chemical Property Profile of RefChem:236859
Property Insights of RefChem:236859
The XLogP value of -0.28 indicates that RefChem:236859 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 195.0 Ų indicates high polarity, suggesting RefChem:236859 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:236859 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:236859?
The CAS number of RefChem:236859 is 67767-01-5.
What is the molecular formula of RefChem:236859?
The molecular formula of RefChem:236859 is C46H64N6O8.
What is the molecular weight of RefChem:236859?
The molecular weight of RefChem:236859 is 828.48 g/mol.
Where can I buy RefChem:236859?
You can request a quote for RefChem:236859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236859?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.