![2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate structure](/static/products/500/500002-69-7.png)
2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate
TL;DR: 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate (CAS 500002-69-7) is a chemical compound with molecular formula C21H28N2O9 and molecular weight 452.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,4-triacetyloxy-5-[4-(dimethylamino)anilino]-5-oxopentyl] acetate
Also Known As: BAS 01157853, [2,3,4-triacetyloxy-5-[4-(dimethylamino)anilino]-5-oxopentyl] acetate, 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate, 5-((4-(dimethylamino)phenyl)amino)-5-oxopentane-1,2,3,4-tetrayl tetraacetate, Acetic acid 2,3,4-triacetoxy-1-(4-dimethylamino-phenylcarbamoyl)-butyl ester
| Molecular Formula | C21H28N2O9 |
|---|---|
| Molecular Weight | 452.18 g/mol |
| LogP | 1.0493 |
| Topological Polar Surface Area | 137.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 452.17947 |
| Heavy Atoms | 32 |
| Complexity | 836.177 |
Chemical Identifiers
| CAS Number | 500002-69-7 |
|---|---|
| SMILES | CC(=O)OCC(C(C(C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate (CAS 500002-69-7), with molecular formula C21H28N2O9 and molecular weight 452.18 g/mol. IUPAC: [2,3,4-triacetyloxy-5-[4-(dimethylamino)anilino]-5-oxopentyl] acetate.
Chemical Property Profile of 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate
Property Insights of 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate
The XLogP value of 1.0493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate. The TPSA of 137.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate. Following Lipinski's Rule of Five, 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate has 1 hydrogen bond donor(s) and 10 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 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate?
The CAS number of 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate is 500002-69-7.
What is the molecular formula of 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate?
The molecular formula of 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate is C21H28N2O9.
What is the molecular weight of 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate?
The molecular weight of 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate is 452.18 g/mol.
Where can I buy 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate?
You can request a quote for 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-triacetyloxy-1-{N-[4-(dimethylamino)phenyl]carbamoyl}butyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.