A-176120
TL;DR: A-176120 (CAS 185049-54-1) is a chemical compound with molecular formula C33H29NO9 and molecular weight 583.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-ethoxyphenyl)methyl-[[3-(4-methylphenoxy)phenyl]methyl]carbamoyl]benzene-1,2,4-tricarboxylic acid
Also Known As: 1,2,4-Benzenetricarboxylic acid, 5-((((2-ethoxyphenyl)methyl)((3-(4-methylphenoxy)phenyl)methyl)amino)carbonyl)-, 5-[(2-ethoxyphenyl)methyl-[[3-(4-methylphenoxy)phenyl]methyl]carbamoyl]benzene-1,2,4-tricarboxylic acid, 5-((2-ethoxybenzyl)(3-(p-tolyloxy)benzyl)carbamoyl)benzene-1,2,4-tricarboxylic acid, RefChem:199297
| Molecular Formula | C33H29NO9 |
|---|---|
| Molecular Weight | 583.18 g/mol |
| LogP | 6.12322 |
| Topological Polar Surface Area | 150.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 583.1842 |
| Heavy Atoms | 43 |
| Complexity | 1678.5416 |
Chemical Identifiers
| CAS Number | 185049-54-1 |
|---|---|
| SMILES | CCOC1=CC=CC=C1CN(CC2=CC(=CC=C2)OC3=CC=C(C=C3)C)C(=O)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O |
Product Overview
A-176120 (CAS 185049-54-1), with molecular formula C33H29NO9 and molecular weight 583.18 g/mol. IUPAC: 5-[(2-ethoxyphenyl)methyl-[[3-(4-methylphenoxy)phenyl]methyl]carbamoyl]benzene-1,2,4-tricarboxylic acid.
Chemical Property Profile of A-176120
Property Insights of A-176120
The XLogP value of 6.12322 indicates that A-176120 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.67 Ų indicates high polarity, suggesting A-176120 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A-176120 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A-176120?
The CAS number of A-176120 is 185049-54-1.
What is the molecular formula of A-176120?
The molecular formula of A-176120 is C33H29NO9.
What is the molecular weight of A-176120?
The molecular weight of A-176120 is 583.18 g/mol.
Where can I buy A-176120?
You can request a quote for A-176120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-176120?
Yes, KEHONG BIO provides custom synthesis services for A-176120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.