RefChem:326998
TL;DR: RefChem:326998 (CAS 54112-88-8) is a chemical compound with molecular formula C22H35Cl2NO9 and molecular weight 527.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chlorohexyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium;2-hydroxy-2-oxoacetate;hydrochloride
Also Known As: Benzoic acid, 3,4,5-trimethoxy-, 2-((6-chlorohexyl)ethylamino)ethyl ester, oxalate, 3,4,5-Trimethoxybenzoic acid 2-((6-chlorohexyl)ethylamino)ethyl ester oxalate, 6-Chloro-N-ethyl-N-{2-[(3,4,5-trimethoxybenzoyl)oxy]ethyl}hexan-1-aminium hydrogen ethanedioate--hydrogen chloride (1/1/1), 6-chlorohexyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium; 2-hydroxy-2-oxoacetate; hydrochloride, RefChem:326998
| Molecular Formula | C22H35Cl2NO9 |
|---|---|
| Molecular Weight | 527.17 g/mol |
| LogP | 0.82 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 527.1689 |
| Heavy Atoms | 34 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 54112-88-8 |
|---|---|
| SMILES | CC[NH+](CCCCCCCl)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.C(=O)(C(=O)[O-])O.Cl |
| InChIKey | NCASJZRTBSFUEU-UHFFFAOYSA-N |
Product Overview
RefChem:326998 (CAS 54112-88-8), with molecular formula C22H35Cl2NO9 and molecular weight 527.17 g/mol. IUPAC: 6-chlorohexyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium;2-hydroxy-2-oxoacetate;hydrochloride.
Chemical Property Profile of RefChem:326998
Property Insights of RefChem:326998
The XLogP value of 0.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326998. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326998. Following Lipinski's Rule of Five, RefChem:326998 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:326998?
The CAS number of RefChem:326998 is 54112-88-8.
What is the molecular formula of RefChem:326998?
The molecular formula of RefChem:326998 is C22H35Cl2NO9.
What is the molecular weight of RefChem:326998?
The molecular weight of RefChem:326998 is 527.17 g/mol.
Where can I buy RefChem:326998?
You can request a quote for RefChem:326998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326998?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.