3-Bromo-2-isopropoxy-5-methylphenylboronic acid
TL;DR: 3-Bromo-2-isopropoxy-5-methylphenylboronic acid (CAS 870718-01-7) is a chemical compound with molecular formula C10H14BBrO3 and molecular weight 272.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid
Also Known As: 3-Bromo-2-isopropoxy-5-methylphenylboronic acid, (3-Bromo-2-isopropoxy-5-methylphenyl)boronic acid, (3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid, 3-BROMO-2-ISOPROPXY-5-METHYLPHENYLBORONIC ACID, Q-7186
| Molecular Formula | C10H14BBrO3 |
|---|---|
| Molecular Weight | 272.02 g/mol |
| LogP | 1.22452 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.02194 |
| Heavy Atoms | 15 |
| Complexity | 352.7659 |
Chemical Identifiers
| CAS Number | 870718-01-7 |
|---|---|
| SMILES | B(C1=CC(=CC(=C1OC(C)C)Br)C)(O)O |
Product Overview
3-Bromo-2-isopropoxy-5-methylphenylboronic acid (CAS 870718-01-7), with molecular formula C10H14BBrO3 and molecular weight 272.02 g/mol. IUPAC: (3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid.
Chemical Property Profile of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid
Property Insights of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid
The XLogP value of 1.22452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2-isopropoxy-5-methylphenylboronic acid. With a topological polar surface area (TPSA) of 49.69 Ų, 3-Bromo-2-isopropoxy-5-methylphenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-isopropoxy-5-methylphenylboronic acid has 2 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-Bromo-2-isopropoxy-5-methylphenylboronic acid?
The CAS number of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is 870718-01-7.
What is the molecular formula of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?
The molecular formula of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is C10H14BBrO3.
What is the molecular weight of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?
The molecular weight of 3-Bromo-2-isopropoxy-5-methylphenylboronic acid is 272.02 g/mol.
Where can I buy 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?
You can request a quote for 3-Bromo-2-isopropoxy-5-methylphenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2-isopropoxy-5-methylphenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-isopropoxy-5-methylphenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.