5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester
TL;DR: 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester (CAS 885266-72-8) is a chemical compound with molecular formula C16H22N2O6 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[(2-aminoacetyl)amino]-2-hydroxy-4,6-dimethylbenzene-1,3-dicarboxylate
Also Known As: Adhiad, 4-(4-nitro-1H-indol-3-yl)butan-2-one, 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester, 2-(3-Bromobenzyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole, 4-[(tert-Butoxycarbonyl)amino]-1H-indole-3-carboxylic acid
| Molecular Formula | C16H22N2O6 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.1478 |
| Heavy Atoms | 24 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 885266-72-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(C(=C1O)C(=O)OCC)C)NC(=O)CN)C |
| InChIKey | IPDYMMUCWKUXKM-UHFFFAOYSA-N |
Product Overview
5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester (CAS 885266-72-8), with molecular formula C16H22N2O6 and molecular weight 338.15 g/mol. IUPAC: diethyl 5-[(2-aminoacetyl)amino]-2-hydroxy-4,6-dimethylbenzene-1,3-dicarboxylate.
Chemical Property Profile of 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester
Property Insights of 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester. Following Lipinski's Rule of Five, 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester has 3 hydrogen bond donor(s) and 7 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 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester?
The CAS number of 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester is 885266-72-8.
What is the molecular formula of 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester?
The molecular formula of 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester is C16H22N2O6.
What is the molecular weight of 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester?
The molecular weight of 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester is 338.15 g/mol.
Where can I buy 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester?
You can request a quote for 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Aminoacetamido-4,6-dimethyl-2-hydroxyisophthalic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.