2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one
TL;DR: 2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one (CAS 77773-99-0) is a chemical compound with molecular formula C15H11NO4 and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one
Also Known As: 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one, J2.471.269I, 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one, 2-(1,3-Benzodioxole-5-yl)-2H-1,3-benzooxazine-4(3H)-one, 2-(2H-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-1,3-benzoxazin-4-one
| Molecular Formula | C15H11NO4 |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.06882 |
| Heavy Atoms | 20 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 77773-99-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3NC(=O)C4=CC=CC=C4O3 |
| InChIKey | DNTFENGPQCZHEO-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one (CAS 77773-99-0), with molecular formula C15H11NO4 and molecular weight 269.07 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one
Property Insights of 2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one. With a topological polar surface area (TPSA) of 56.8 Ų, 2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one has 1 hydrogen bond donor(s) and 4 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-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one is 77773-99-0.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one is C15H11NO4.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one is 269.07 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.