![3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one structure](/static/products/874/874468-92-5.png)
3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one
TL;DR: 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one (CAS 874468-92-5) is a chemical compound with molecular formula C15H10BrNO4 and molecular weight 346.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one
Also Known As: 3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one, 3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2(3H)-one, A3991/0170030, 1,3-Benzoxazol-2(3H)-one, 3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-, 3-((6-bromobenzo[d][1,3]dioxol-5-yl)methyl)benzo[d]oxazol-2(3H)-one
| Molecular Formula | C15H10BrNO4 |
|---|---|
| Molecular Weight | 346.98 g/mol |
| LogP | 3.134 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.9793 |
| Heavy Atoms | 21 |
| Complexity | 896.31525 |
Chemical Identifiers
| CAS Number | 874468-92-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CN3C4=CC=CC=C4OC3=O)Br |
Product Overview
3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one (CAS 874468-92-5), with molecular formula C15H10BrNO4 and molecular weight 346.98 g/mol. IUPAC: 3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one
Property Insights of 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one
The XLogP value of 3.134 indicates that 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one has 0 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 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one?
The CAS number of 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one is 874468-92-5.
What is the molecular formula of 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one?
The molecular formula of 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one is C15H10BrNO4.
What is the molecular weight of 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one?
The molecular weight of 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one is 346.98 g/mol.
Where can I buy 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one?
You can request a quote for 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzoxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.