3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione
TL;DR: 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione (CAS 162936-55-2) 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.
3-(2-methylpropyl)-1,3-benzoxazine-2,4-dione
Also Known As: 3-Isobutyl-2H-1,3-benzoxazine-2,4(3H)-dione, 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione, 3-(2-methylpropyl)-3,4-dihydro-2H-1,3-benzoxazine-2,4-dione, 9-(2-methylpropyl)-7-oxa-9-azabicyclo[4.4.0]deca-1,3,5-triene-8,10-dione
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.6107 |
| Topological Polar Surface Area | 52.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 621.9319 |
Chemical Identifiers
| CAS Number | 162936-55-2 |
|---|---|
| SMILES | CC(C)CN1C(=O)C2=CC=CC=C2OC1=O |
Product Overview
3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione (CAS 162936-55-2), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 3-(2-methylpropyl)-1,3-benzoxazine-2,4-dione.
Chemical Property Profile of 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione
Property Insights of 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione
The XLogP value of 1.6107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione. With a topological polar surface area (TPSA) of 52.21 Ų, 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-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 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione?
The CAS number of 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione is 162936-55-2.
What is the molecular formula of 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione?
The molecular formula of 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione is C12H13NO3.
What is the molecular weight of 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione?
The molecular weight of 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione is 219.09 g/mol.
Where can I buy 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione?
You can request a quote for 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methylpropyl)-2H-1,3-benzoxazine-2,4(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.