Benz-3,1-oxazine-2,4-dione, 1-pentyl-
TL;DR: Benz-3,1-oxazine-2,4-dione, 1-pentyl- (CAS 57384-48-2) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pentyl-3,1-benzoxazine-2,4-dione
Also Known As: Benz-3,1-oxazine-2,4-dione, 1-pentyl-, 1-pentyl-3,1-benzoxazine-2,4-dione, 1-pentyl-3,1-benzoxazin-2,4-(1H)-dione, Benz-3,1-oxazine-2,4-dione, 1-pentyl-,, 1-Pentyl-2H-3,1-benzoxazine-2,4(1H)-dione
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 57384-48-2 |
|---|---|
| SMILES | CCCCCN1C2=CC=CC=C2C(=O)OC1=O |
| InChIKey | JRKZMGQUTSBYPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benz-3,1-oxazine-2,4-dione, 1-pentyl- (CAS 57384-48-2), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: 1-pentyl-3,1-benzoxazine-2,4-dione.
Chemical Property Profile of Benz-3,1-oxazine-2,4-dione, 1-pentyl-
Property Insights of Benz-3,1-oxazine-2,4-dione, 1-pentyl-
The XLogP value of 3.0 indicates that Benz-3,1-oxazine-2,4-dione, 1-pentyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, Benz-3,1-oxazine-2,4-dione, 1-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz-3,1-oxazine-2,4-dione, 1-pentyl- has 0 hydrogen bond donor(s) and 3 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 Benz-3,1-oxazine-2,4-dione, 1-pentyl-?
The CAS number of Benz-3,1-oxazine-2,4-dione, 1-pentyl- is 57384-48-2.
What is the molecular formula of Benz-3,1-oxazine-2,4-dione, 1-pentyl-?
The molecular formula of Benz-3,1-oxazine-2,4-dione, 1-pentyl- is C13H15NO3.
What is the molecular weight of Benz-3,1-oxazine-2,4-dione, 1-pentyl-?
The molecular weight of Benz-3,1-oxazine-2,4-dione, 1-pentyl- is 233.11 g/mol.
Where can I buy Benz-3,1-oxazine-2,4-dione, 1-pentyl-?
You can request a quote for Benz-3,1-oxazine-2,4-dione, 1-pentyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz-3,1-oxazine-2,4-dione, 1-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for Benz-3,1-oxazine-2,4-dione, 1-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.