RefChem:339913
TL;DR: RefChem:339913 (CAS 54070-78-9) is a chemical compound with molecular formula C42H68Cl3N5O5 and molecular weight 827.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-[2,7-bis[3-(dibutylamino)propoxycarbonyl]fluoren-9-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride;dihydrochloride
Also Known As: Ethanaminium, 2-((2,7-bis((3-(dibutylamino)propoxy)carbonyl)-9H-fluoren-9-ylidene)hydrazino)-N,N,N-trimethyl-2-oxo-, chloride, hydrochloride, hydrate (4:8:3), 2-[2-(2,7-bis{[3-(dibutylamino)propoxy]carbonyl}-9h-fluoren-9-ylidene)hydrazinyl]-n,n,n-trimethyl-2-oxoethanaminium chloride hydrochloride(1:1:2), [2-[2-[2,7-bis[3-(dibutylamino)propoxycarbonyl]fluoren-9-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride dihydrochloride, RefChem:339913
| Molecular Formula | C42H68Cl3N5O5 |
|---|---|
| Molecular Weight | 827.43 g/mol |
| LogP | 4.9876 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 27 |
| Exact Mass | 827.4286 |
| Heavy Atoms | 55 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 54070-78-9 |
|---|---|
| SMILES | CCCCN(CCCC)CCCOC(=O)C1=CC2=C(C=C1)C3=C(C2=NNC(=O)C[N+](C)(C)C)C=C(C=C3)C(=O)OCCCN(CCCC)CCCC.Cl.Cl.[Cl-] |
| InChIKey | NRGCFGJOLQCXOX-UHFFFAOYSA-N |
Product Overview
RefChem:339913 (CAS 54070-78-9), with molecular formula C42H68Cl3N5O5 and molecular weight 827.43 g/mol. IUPAC: [2-[2-[2,7-bis[3-(dibutylamino)propoxycarbonyl]fluoren-9-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride;dihydrochloride.
Chemical Property Profile of RefChem:339913
Property Insights of RefChem:339913
The XLogP value of 4.9876 indicates that RefChem:339913 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:339913. Following Lipinski's Rule of Five, RefChem:339913 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:339913?
The CAS number of RefChem:339913 is 54070-78-9.
What is the molecular formula of RefChem:339913?
The molecular formula of RefChem:339913 is C42H68Cl3N5O5.
What is the molecular weight of RefChem:339913?
The molecular weight of RefChem:339913 is 827.43 g/mol.
Where can I buy RefChem:339913?
You can request a quote for RefChem:339913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339913?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.