3-Bromomethy-7-methoxy-1,4-benzoxazin-2-one
TL;DR: 3-Bromomethy-7-methoxy-1,4-benzoxazin-2-one (CAS 14628-36-5) is a chemical compound with molecular formula C10H8BrNO3 and molecular weight 268.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(bromomethyl)-7-methoxy-1,4-benzoxazin-2-one
Also Known As: BrMB, 3-Bromomethyl-7-methoxy-1,4-benzoxazin-2-one, 3-(bromomethyl)-7-methoxy-1,4-benzoxazin-2-one, 3-(Bromomethyl)-7-methoxy-2H-1,4-benzoxazin-2-one, 3-(Bromomethyl)-7-methoxy-2H-benzo[b][1,4]oxazin-2-one
| Molecular Formula | C10H8BrNO3 |
|---|---|
| Molecular Weight | 268.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.96875 |
| Heavy Atoms | 15 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 14628-36-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(C(=O)O2)CBr |
| InChIKey | XFCZURAACWKKIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromomethy-7-methoxy-1,4-benzoxazin-2-one (CAS 14628-36-5), with molecular formula C10H8BrNO3 and molecular weight 268.97 g/mol. IUPAC: 3-(bromomethyl)-7-methoxy-1,4-benzoxazin-2-one.
Chemical Property Profile of 3-Bromomethy-7-methoxy-1,4-benzoxazin-2-one
Property Insights of 3-Bromomethy-7-methoxy-1,4-benzoxazin-2-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromomethy-7-methoxy-1,4-benzoxazin-2-one. With a topological polar surface area (TPSA) of 47.9 Ų, 3-Bromomethy-7-methoxy-1,4-benzoxazin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromomethy-7-methoxy-1,4-benzoxazin-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-Bromomethy-7-methoxy-1,4-benzoxazin-2-one?
The CAS number of 3-Bromomethy-7-methoxy-1,4-benzoxazin-2-one is 14628-36-5.
What is the molecular formula of 3-Bromomethy-7-methoxy-1,4-benzoxazin-2-one?
The molecular formula of 3-Bromomethy-7-methoxy-1,4-benzoxazin-2-one is C10H8BrNO3.
What is the molecular weight of 3-Bromomethy-7-methoxy-1,4-benzoxazin-2-one?
The molecular weight of 3-Bromomethy-7-methoxy-1,4-benzoxazin-2-one is 268.97 g/mol.
Where can I buy 3-Bromomethy-7-methoxy-1,4-benzoxazin-2-one?
You can request a quote for 3-Bromomethy-7-methoxy-1,4-benzoxazin-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-Bromomethy-7-methoxy-1,4-benzoxazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromomethy-7-methoxy-1,4-benzoxazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.