![B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid structure](/static/products/114/1144511-59-0.webp)
B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid
TL;DR: B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid (CAS 1144511-59-0) is a chemical compound with molecular formula C3H6BClO2 and molecular weight 120.01494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-3-chloroprop-1-enyl]boronic acid
Also Known As: trans-2-Chloromethylvinylboronic acid, (3-Chloroprop-1-en-1-yl)boronic acid, [(E)-3-chloroprop-1-enyl]boronic acid, (E)-(3-chloroprop-1-en-1-yl)boronic acid, 2-Chloromethylvinylboronic acid
Technical Specifications
| Molecular Formula | C3H6BClO2 |
| Molecular Weight | 120.01494 g/mol |
| XLogP | -0.2066 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.01494 Da |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
| SMILES | B(/C=C/CCl)(O)O |
| InChIKey | JMTGSXGIIONQHI-OWOJBTEDSA-N |
Chemical Property Profile of B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid
Property Insights of B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid
The XLogP value of -0.2066 indicates that B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid?
The CAS number of B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid is 1144511-59-0.
What is the molecular formula of B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid?
The molecular formula of B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid is C3H6BClO2.
What is the molecular weight of B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid?
The molecular weight of B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid is 120.01494 g/mol.
Where can I buy B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid?
You can request a quote for B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid?
Yes, CoreyChem provides custom synthesis services for B-[(1E)-3-Chloro-1-propen-1-yl]boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.