2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
TL;DR: 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one (CAS 896850-00-3) is a chemical compound with molecular formula C12H8BrNO2S and molecular weight 308.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromothiophen-2-yl)-2,3-dihydro-1,3-benzoxazin-4-one
Also Known As: 2-(4-bromothiophen-2-yl)-2,3-dihydro-1,3-benzoxazin-4-one, 2-(4-bromothiophen-2-yl)-2H-benzo[e][1,3]oxazin-4(3H)-one, 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
| Molecular Formula | C12H8BrNO2S |
|---|---|
| Molecular Weight | 308.95 g/mol |
| LogP | 3.3316 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.94592 |
| Heavy Atoms | 17 |
| Complexity | 581.3895 |
Chemical Identifiers
| CAS Number | 896850-00-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NC(O2)C3=CC(=CS3)Br |
Product Overview
2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one (CAS 896850-00-3), with molecular formula C12H8BrNO2S and molecular weight 308.95 g/mol. IUPAC: 2-(4-bromothiophen-2-yl)-2,3-dihydro-1,3-benzoxazin-4-one.
Chemical Property Profile of 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
Property Insights of 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
The XLogP value of 3.3316 indicates that 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-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 38.33 Ų, 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one 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 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one?
The CAS number of 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one is 896850-00-3.
What is the molecular formula of 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one?
The molecular formula of 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one is C12H8BrNO2S.
What is the molecular weight of 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one?
The molecular weight of 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one is 308.95 g/mol.
Where can I buy 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one?
You can request a quote for 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-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-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.