Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester
TL;DR: Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester (CAS 1294477-96-5) is a chemical compound with molecular formula C20H25NO9 and molecular weight 423.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,4-triacetyloxy-5-(2-methylanilino)-5-oxopentyl] acetate
Also Known As: BAS 01181100, Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester, Pentanamide, 2,3,4,5-tetraacetoxy-N-(2-methylphenyl)-, A2136/0089693, [2,3,4-triacetyloxy-5-(2-methylanilino)-5-oxopentyl] acetate
| Molecular Formula | C20H25NO9 |
|---|---|
| Molecular Weight | 423.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 423.15292 |
| Heavy Atoms | 30 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 1294477-96-5 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | TXAWVGRHXVYUQW-UHFFFAOYSA-N |
Product Overview
Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester (CAS 1294477-96-5), with molecular formula C20H25NO9 and molecular weight 423.15 g/mol. IUPAC: [2,3,4-triacetyloxy-5-(2-methylanilino)-5-oxopentyl] acetate.
Chemical Property Profile of Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester
Property Insights of Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester. Following Lipinski's Rule of Five, Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester has 1 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 Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester?
The CAS number of Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester is 1294477-96-5.
What is the molecular formula of Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester?
The molecular formula of Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester is C20H25NO9.
What is the molecular weight of Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester?
The molecular weight of Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester is 423.15 g/mol.
Where can I buy Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester?
You can request a quote for Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid 2,3,4-triacetoxy-1-o-tolylcarbamoyl-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.