3-Chloro-4-isopropoxyphenylboronic acid
TL;DR: 3-Chloro-4-isopropoxyphenylboronic acid (CAS 480438-56-0) is a chemical compound with molecular formula C9H12BClO3 and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-propan-2-yloxyphenyl)boronic acid
Also Known As: 3-Chloro-4-isopropoxyphenylboronic acid, (3-chloro-4-isopropoxyphenyl)boronic acid, (3-chloro-4-propan-2-yloxyphenyl)boronic acid, 3-Chloro-4-isopropoxybenzeneboronic acid, (3-Chloro-4-isopropoxy-phenyl)boronic acid
| Molecular Formula | C9H12BClO3 |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 0.807 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.05681 |
| Heavy Atoms | 14 |
| Complexity | 314.9254 |
Chemical Identifiers
| CAS Number | 480438-56-0 |
|---|---|
| SMILES | B(C1=CC(=C(C=C1)OC(C)C)Cl)(O)O |
Product Overview
3-Chloro-4-isopropoxyphenylboronic acid (CAS 480438-56-0), with molecular formula C9H12BClO3 and molecular weight 214.06 g/mol. IUPAC: (3-chloro-4-propan-2-yloxyphenyl)boronic acid.
Chemical Property Profile of 3-Chloro-4-isopropoxyphenylboronic acid
Property Insights of 3-Chloro-4-isopropoxyphenylboronic acid
The XLogP value of 0.807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-isopropoxyphenylboronic acid. With a topological polar surface area (TPSA) of 49.69 Ų, 3-Chloro-4-isopropoxyphenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-isopropoxyphenylboronic 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-Chloro-4-isopropoxyphenylboronic acid?
The CAS number of 3-Chloro-4-isopropoxyphenylboronic acid is 480438-56-0.
What is the molecular formula of 3-Chloro-4-isopropoxyphenylboronic acid?
The molecular formula of 3-Chloro-4-isopropoxyphenylboronic acid is C9H12BClO3.
What is the molecular weight of 3-Chloro-4-isopropoxyphenylboronic acid?
The molecular weight of 3-Chloro-4-isopropoxyphenylboronic acid is 214.06 g/mol.
Where can I buy 3-Chloro-4-isopropoxyphenylboronic acid?
You can request a quote for 3-Chloro-4-isopropoxyphenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-isopropoxyphenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-isopropoxyphenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.