3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
TL;DR: 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CAS 712347-61-0) 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-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Also Known As: 3-(3-bromophenyl)-4,5-dihydroisoxazole-5-carboxylic acid, 3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid, 3-(3-Bromo-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid, BAS 09529132, 3-(3-bromophenyl)-2-isoxazoline-5-carboxylic acid
| Molecular Formula | C10H8BrNO3 |
|---|---|
| Molecular Weight | 268.97 g/mol |
| LogP | 2.0267 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.96875 |
| Heavy Atoms | 15 |
| Complexity | 430.4306 |
Chemical Identifiers
| CAS Number | 712347-61-0 |
|---|---|
| SMILES | C1C(ON=C1C2=CC(=CC=C2)Br)C(=O)O |
Product Overview
3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CAS 712347-61-0), with molecular formula C10H8BrNO3 and molecular weight 268.97 g/mol. IUPAC: 3-(3-bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
Chemical Property Profile of 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Property Insights of 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
The XLogP value of 2.0267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 58.89 Ų, 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid 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 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The CAS number of 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is 712347-61-0.
What is the molecular formula of 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The molecular formula of 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is C10H8BrNO3.
What is the molecular weight of 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The molecular weight of 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is 268.97 g/mol.
Where can I buy 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
You can request a quote for 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Bromophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.