2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-
TL;DR: 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)- (CAS 86818-27-1) is a chemical compound with molecular formula C16H12BrNO3 and molecular weight 345.00 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]acetic acid
Also Known As: 2H-1,4-BENZOXAZINE-6-ACETIC ACID, 3-(4-BROMOPHENYL)-, 3-(4-Bromophenyl)-2H-1,4-benzoxazine-6-acetic acid, 3-(p-Bromophenyl)-2H-1,4-benzoxazine-6-acetic acid, 2-[3-(4-bromophenyl)-2H-1,4-benzoxazin-6-yl]acetic acid, [3-(4-bromophenyl)-2H-1,4-benzoxazin-6-yl]acetic acid
| Molecular Formula | C16H12BrNO3 |
|---|---|
| Molecular Weight | 345.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.00006 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 86818-27-1 |
|---|---|
| SMILES | C1C(=NC2=C(O1)C=CC(=C2)CC(=O)O)C3=CC=C(C=C3)Br |
| InChIKey | HEYXZIDKZTWGGT-UHFFFAOYSA-N |
Product Overview
2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)- (CAS 86818-27-1), with molecular formula C16H12BrNO3 and molecular weight 345.00 g/mol. IUPAC: 2-[3-(4-bromophenyl)-2H-1,4-benzoxazin-6-yl]acetic acid.
Chemical Property Profile of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-
Property Insights of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-
The XLogP value of 3.3 indicates that 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)- 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)- 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 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-?
The CAS number of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)- is 86818-27-1.
What is the molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-?
The molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)- is C16H12BrNO3.
What is the molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-?
The molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)- is 345.00 g/mol.
Where can I buy 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-?
You can request a quote for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)- 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)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.