4-Bromo-2,3-difluorophenol
TL;DR: 4-Bromo-2,3-difluorophenol (CAS 144292-32-0) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: 4-Bromo-2,3-difluorophenol, TOSLAB 837215, BAS 07386287, 2-Isobutyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 2-(2-methylpropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 0.509 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 444.2722 |
Chemical Identifiers
| CAS Number | 144292-32-0 |
|---|---|
| SMILES | CC(C)CN1CC23C=CC(O2)C(C3C1=O)C(=O)O |
Product Overview
4-Bromo-2,3-difluorophenol (CAS 144292-32-0), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: 3-(2-methylpropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid.
Chemical Property Profile of 4-Bromo-2,3-difluorophenol
Property Insights of 4-Bromo-2,3-difluorophenol
The XLogP value of 0.509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2,3-difluorophenol. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2,3-difluorophenol. Following Lipinski's Rule of Five, 4-Bromo-2,3-difluorophenol 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 4-Bromo-2,3-difluorophenol?
The CAS number of 4-Bromo-2,3-difluorophenol is 144292-32-0.
What is the molecular formula of 4-Bromo-2,3-difluorophenol?
The molecular formula of 4-Bromo-2,3-difluorophenol is C13H17NO4.
What is the molecular weight of 4-Bromo-2,3-difluorophenol?
The molecular weight of 4-Bromo-2,3-difluorophenol is 251.12 g/mol.
Where can I buy 4-Bromo-2,3-difluorophenol?
You can request a quote for 4-Bromo-2,3-difluorophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2,3-difluorophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,3-difluorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.