1-Butyl-3,1-benzoxazine-2,4-dione
TL;DR: 1-Butyl-3,1-benzoxazine-2,4-dione (CAS 16512-56-4) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3,1-benzoxazine-2,4-dione
Also Known As: starbld0013037, N-Butylisatoic Anhydride, 1-butyl-3,1-benzoxazine-2,4-dione, 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-butyl-, 1-butyl-2H-3,1-benzoxazine-2,4(1H)-dione
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.7548 |
| Topological Polar Surface Area | 52.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 609.42535 |
Chemical Identifiers
| CAS Number | 16512-56-4 |
|---|---|
| SMILES | CCCCN1C2=CC=CC=C2C(=O)OC1=O |
Product Overview
1-Butyl-3,1-benzoxazine-2,4-dione (CAS 16512-56-4), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 1-butyl-3,1-benzoxazine-2,4-dione.
Chemical Property Profile of 1-Butyl-3,1-benzoxazine-2,4-dione
Property Insights of 1-Butyl-3,1-benzoxazine-2,4-dione
The XLogP value of 1.7548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3,1-benzoxazine-2,4-dione. With a topological polar surface area (TPSA) of 52.21 Ų, 1-Butyl-3,1-benzoxazine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-3,1-benzoxazine-2,4-dione 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 1-Butyl-3,1-benzoxazine-2,4-dione?
The CAS number of 1-Butyl-3,1-benzoxazine-2,4-dione is 16512-56-4.
What is the molecular formula of 1-Butyl-3,1-benzoxazine-2,4-dione?
The molecular formula of 1-Butyl-3,1-benzoxazine-2,4-dione is C12H13NO3.
What is the molecular weight of 1-Butyl-3,1-benzoxazine-2,4-dione?
The molecular weight of 1-Butyl-3,1-benzoxazine-2,4-dione is 219.09 g/mol.
Where can I buy 1-Butyl-3,1-benzoxazine-2,4-dione?
You can request a quote for 1-Butyl-3,1-benzoxazine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-3,1-benzoxazine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3,1-benzoxazine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.