3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-
TL;DR: 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl- (CAS 116337-58-7) is a chemical compound with molecular formula C15H11NO3 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzoyl-4H-1,4-benzoxazin-3-one
Also Known As: 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-, 7-Benzoyl-3H-1,4-benzoxazin-3(4H)-one, 7-benzoyl-4H-1,4-benzoxazin-3-one, 7-Benzoyl-2H-1,4-benzoxazin-3(4H)-one, BRN 5955276
| Molecular Formula | C15H11NO3 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 2.2485 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.0739 |
| Heavy Atoms | 19 |
| Complexity | 649.6952 |
Chemical Identifiers
| CAS Number | 116337-58-7 |
|---|---|
| SMILES | C1C(=O)NC2=C(O1)C=C(C=C2)C(=O)C3=CC=CC=C3 |
Product Overview
3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl- (CAS 116337-58-7), with molecular formula C15H11NO3 and molecular weight 253.07 g/mol. IUPAC: 7-benzoyl-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-
Property Insights of 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-
The XLogP value of 2.2485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-. With a topological polar surface area (TPSA) of 55.4 Ų, 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl- has 1 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 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-?
The CAS number of 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl- is 116337-58-7.
What is the molecular formula of 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-?
The molecular formula of 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl- is C15H11NO3.
What is the molecular weight of 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-?
The molecular weight of 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl- is 253.07 g/mol.
Where can I buy 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-?
You can request a quote for 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.