4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate
TL;DR: 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate (CAS 775302-13-1) is a chemical compound with molecular formula C19H17NO6 and molecular weight 355.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)phenyl] propanoate
Also Known As: [4-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)phenyl] propanoate|4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate|4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propionate|4-(6,7-dimethoxy-4-oxo-4H-benzo[d][1,3]oxazin-2-yl)phenyl propionate
| Molecular Formula | C19H17NO6 |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | 3.1876 |
| Topological Polar Surface Area | 87.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.1056 |
| Heavy Atoms | 26 |
| Complexity | 1006.95337 |
Chemical Identifiers
| CAS Number | 775302-13-1 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)C2=NC3=CC(=C(C=C3C(=O)O2)OC)OC |
Product Overview
4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate (CAS 775302-13-1), with molecular formula C19H17NO6 and molecular weight 355.11 g/mol. IUPAC: [4-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)phenyl] propanoate.
Chemical Property Profile of 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate
Property Insights of 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate
The XLogP value of 3.1876 indicates that 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate. Following Lipinski's Rule of Five, 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate has 0 hydrogen bond donor(s) and 7 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 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate?
The CAS number of 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate is 775302-13-1.
What is the molecular formula of 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate?
The molecular formula of 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate is C19H17NO6.
What is the molecular weight of 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate?
The molecular weight of 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate is 355.11 g/mol.
Where can I buy 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate?
You can request a quote for 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.