RefChem:327314
TL;DR: RefChem:327314 (CAS 54451-30-8) is a chemical compound with molecular formula C28H35ClN2O11 and molecular weight 610.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[2-(4-chlorophenoxy)propanoylamino]benzoyl]oxyethyl-diethylazanium
Also Known As: 4-((2-(4-Chlorophenoxy)-1-oxopropyl)amino)benzoic acid 2-(diethylamino)ethyl ester citrate, Benzoic acid, 4-((2-(4-chlorophenoxy)-1-oxopropyl)amino)-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), 3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[2-(4-chlorophenoxy)propanoylamino]benzoyl]oxyethyl-diethylazanium, BENZOIC ACID, 4-((2-(4-CHLOROPHENOXY)-1-OXOPROPYL)AMINO)-, 2-(DIETHYLAMINO)ETHYL, 3-carboxy-3,5-dihydroxy-5-oxopentanoate; 2-[2-[2-(4-chlorophenoxy)propanoylamino]benzoyl]oxyethyl-diethylazanium
| Molecular Formula | C28H35ClN2O11 |
|---|---|
| Molecular Weight | 610.19 g/mol |
| LogP | 0.24 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 610.19293 |
| Heavy Atoms | 42 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 54451-30-8 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC=CC=C1NC(=O)C(C)OC2=CC=C(C=C2)Cl.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O |
| InChIKey | WPYHDISDADHQHB-UHFFFAOYSA-N |
Product Overview
RefChem:327314 (CAS 54451-30-8), with molecular formula C28H35ClN2O11 and molecular weight 610.19 g/mol. IUPAC: 3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[2-(4-chlorophenoxy)propanoylamino]benzoyl]oxyethyl-diethylazanium.
Chemical Property Profile of RefChem:327314
Property Insights of RefChem:327314
The XLogP value of 0.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:327314. The TPSA of 204.0 Ų indicates high polarity, suggesting RefChem:327314 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:327314 has 5 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 RefChem:327314?
The CAS number of RefChem:327314 is 54451-30-8.
What is the molecular formula of RefChem:327314?
The molecular formula of RefChem:327314 is C28H35ClN2O11.
What is the molecular weight of RefChem:327314?
The molecular weight of RefChem:327314 is 610.19 g/mol.
Where can I buy RefChem:327314?
You can request a quote for RefChem:327314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327314?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.