2-(6-Chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one
TL;DR: 2-(6-Chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one (CAS 831184-96-4) is a chemical compound with molecular formula C15H10ClNO4 and molecular weight 303.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one
Also Known As: 2-(6-chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one, 2-(6-chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one, 2-(6-chlorobenzo[d][1,3]dioxol-5-yl)-2H-benzo[e][1,3]oxazin-4(3H)-one
| Molecular Formula | C15H10ClNO4 |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.02985 |
| Heavy Atoms | 21 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 831184-96-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C3NC(=O)C4=CC=CC=C4O3)Cl |
| InChIKey | GJAVPKOQKOOIPD-UHFFFAOYSA-N |
Product Overview
2-(6-Chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one (CAS 831184-96-4), with molecular formula C15H10ClNO4 and molecular weight 303.03 g/mol. IUPAC: 2-(6-chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one.
Chemical Property Profile of 2-(6-Chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one
Property Insights of 2-(6-Chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one
The XLogP value of 3.0 indicates that 2-(6-Chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, 2-(6-Chloro-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-(6-Chloro-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-(6-Chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one?
The CAS number of 2-(6-Chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one is 831184-96-4.
What is the molecular formula of 2-(6-Chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one?
The molecular formula of 2-(6-Chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one is C15H10ClNO4.
What is the molecular weight of 2-(6-Chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one?
The molecular weight of 2-(6-Chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one is 303.03 g/mol.
Where can I buy 2-(6-Chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one?
You can request a quote for 2-(6-Chloro-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-(6-Chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Chloro-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.