2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl-
TL;DR: 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl- (CAS 86818-30-6) is a chemical compound with molecular formula C17H14BrNO3 and molecular weight 359.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-bromophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid
Also Known As: 2-[3-(4-bromophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid, 3-(4-Bromophenyl)-alpha-methyl-2H-1,4-benzoxazine-6-acetic acid, 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl-, BRN 4531108, RefChem:268018
| Molecular Formula | C17H14BrNO3 |
|---|---|
| Molecular Weight | 359.02 g/mol |
| LogP | 4.1504 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.01572 |
| Heavy Atoms | 22 |
| Complexity | 752.9994 |
Chemical Identifiers
| CAS Number | 86818-30-6 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OCC(=N2)C3=CC=C(C=C3)Br)C(=O)O |
Product Overview
2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl- (CAS 86818-30-6), with molecular formula C17H14BrNO3 and molecular weight 359.02 g/mol. IUPAC: 2-[3-(4-bromophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid.
Chemical Property Profile of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl-
Property Insights of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl-
The XLogP value of 4.1504 indicates that 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.89 Ų, 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl- 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 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl-?
The CAS number of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl- is 86818-30-6.
What is the molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl-?
The molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl- is C17H14BrNO3.
What is the molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl-?
The molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl- is 359.02 g/mol.
Where can I buy 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl-?
You can request a quote for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.