2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate
TL;DR: 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate (CAS 831244-11-2) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dimethylphenyl)-4-oxo-3,1-benzoxazin-6-yl] propanoate
Also Known As: 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate, [2-(3,4-dimethylphenyl)-4-oxo-3,1-benzoxazin-6-yl] propanoate, 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propanoate, 2-(3,4-dimethylphenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl propionate
| Molecular Formula | C19H17NO4 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 3.78724 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.11575 |
| Heavy Atoms | 24 |
| Complexity | 988.3136 |
Chemical Identifiers
| CAS Number | 831244-11-2 |
|---|---|
| SMILES | CCC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)C3=CC(=C(C=C3)C)C |
Product Overview
2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate (CAS 831244-11-2), with molecular formula C19H17NO4 and molecular weight 323.12 g/mol. IUPAC: [2-(3,4-dimethylphenyl)-4-oxo-3,1-benzoxazin-6-yl] propanoate.
Chemical Property Profile of 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate
Property Insights of 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate
The XLogP value of 3.78724 indicates that 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate. Following Lipinski's Rule of Five, 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate has 0 hydrogen bond donor(s) and 5 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-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate?
The CAS number of 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate is 831244-11-2.
What is the molecular formula of 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate?
The molecular formula of 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate is C19H17NO4.
What is the molecular weight of 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate?
The molecular weight of 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate is 323.12 g/mol.
Where can I buy 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate?
You can request a quote for 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate 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-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dimethylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.