Dabequin
TL;DR: Dabequin (CAS 645-53-4) is a chemical compound with molecular formula C19H29N3O8P2 and molecular weight 489.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzo[g]quinolin-4-yl-N',N'-diethylethane-1,2-diamine;phosphoric acid
Also Known As: Dabequin, Dabequine, Dabequin phosphate, Dabequin (phosphate), 1,2-Ethanediamine, N'-benzo(g)quinolin-4-yl-N,N-diethyl-, phosphate (1:2)
| Molecular Formula | C19H29N3O8P2 |
|---|---|
| Molecular Weight | 489.14 g/mol |
| LogP | 2.2845 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.14297 |
| Heavy Atoms | 32 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 645-53-4 |
|---|---|
| SMILES | CCN(CC)CCNC1=CC=NC2=CC3=CC=CC=C3C=C12.OP(=O)(O)O.OP(=O)(O)O |
| InChIKey | NRIPPNSZXMSXSL-UHFFFAOYSA-N |
Product Overview
Dabequin (CAS 645-53-4), with molecular formula C19H29N3O8P2 and molecular weight 489.14 g/mol. IUPAC: N-benzo[g]quinolin-4-yl-N',N'-diethylethane-1,2-diamine;phosphoric acid.
Chemical Property Profile of Dabequin
Property Insights of Dabequin
The XLogP value of 2.2845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dabequin. The TPSA of 184.0 Ų indicates high polarity, suggesting Dabequin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dabequin has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dabequin?
The CAS number of Dabequin is 645-53-4.
What is the molecular formula of Dabequin?
The molecular formula of Dabequin is C19H29N3O8P2.
What is the molecular weight of Dabequin?
The molecular weight of Dabequin is 489.14 g/mol.
Where can I buy Dabequin?
You can request a quote for Dabequin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dabequin?
Yes, KEHONG BIO provides custom synthesis services for Dabequin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.