![Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester structure](/static/products/6276/62764-70-9.webp)
Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester
TL;DR: Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester (CAS 62764-70-9) is a chemical compound with molecular formula C15H19NO4 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(3-oxobutanoylamino)benzoate
Also Known As: butyl 4-(3-oxobutanoylamino)benzoate, BUTYL 4-(3-OXOBUTANAMIDO)BENZOATE, Benzoic acid, 4-((1,3-dioxobutyl)amino)-, butyl ester, Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester, 4-(Acetoacetylamino)benzoic acid butyl ester
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 62764-70-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC(=O)C |
| InChIKey | FYLXQLVHHXBUAF-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester (CAS 62764-70-9), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: butyl 4-(3-oxobutanoylamino)benzoate.
Chemical Property Profile of Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester
Property Insights of Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester has 1 hydrogen bond donor(s) and 4 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 Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester?
The CAS number of Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester is 62764-70-9.
What is the molecular formula of Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester?
The molecular formula of Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester is C15H19NO4.
What is the molecular weight of Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester?
The molecular weight of Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester is 277.13 g/mol.
Where can I buy Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester?
You can request a quote for Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[(1,3-dioxobutyl)amino]-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.