RefChem:326997
TL;DR: RefChem:326997 (CAS 54112-84-4) is a chemical compound with molecular formula C21H32ClNO9 and molecular weight 477.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloropentyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium;2-hydroxy-2-oxoacetate
Also Known As: Benzoic acid, 3,4,5-trimethoxy-, 2-((5-chloropentyl)ethylamino)ethyl ester, oxalate, 3,4,5-Trimethoxybenzoic acid 2-((5-chloropentyl)ethylamino)ethyl ester oxalate, 4-chloropentyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium; 2-hydroxy-2-oxoacetate, RefChem:326997
| Molecular Formula | C21H32ClNO9 |
|---|---|
| Molecular Weight | 477.18 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 477.17654 |
| Heavy Atoms | 32 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 54112-84-4 |
|---|---|
| SMILES | CC[NH+](CCCC(C)Cl)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.C(=O)(C(=O)[O-])O |
| InChIKey | URILAFSRXOZGRO-UHFFFAOYSA-N |
Product Overview
RefChem:326997 (CAS 54112-84-4), with molecular formula C21H32ClNO9 and molecular weight 477.18 g/mol. IUPAC: 4-chloropentyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:326997
Property Insights of RefChem:326997
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326997. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326997. Following Lipinski's Rule of Five, RefChem:326997 has 2 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:326997?
The CAS number of RefChem:326997 is 54112-84-4.
What is the molecular formula of RefChem:326997?
The molecular formula of RefChem:326997 is C21H32ClNO9.
What is the molecular weight of RefChem:326997?
The molecular weight of RefChem:326997 is 477.18 g/mol.
Where can I buy RefChem:326997?
You can request a quote for RefChem:326997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326997?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.