3-chloroprop-1-enylboronic Acid
TL;DR: 3-chloroprop-1-enylboronic Acid (CAS 491879-29-9) is a chemical compound with molecular formula C3H6BClO2 and molecular weight 120.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloroprop-1-enylboronic acid
Also Known As: 3-chloroprop-1-enylboronic Acid, (3-Chloroprop-1-en-1-yl)boronic acid, trans-2-Chloromethylvinylboronic acid, Boronic acid, [(1E)-3-chloro-1-propenyl]-, [(E)-3-chloroprop-1-enyl]boronic acid
| Molecular Formula | C3H6BClO2 |
|---|---|
| Molecular Weight | 120.01 g/mol |
| LogP | -0.2066 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.01494 |
| Heavy Atoms | 7 |
| Complexity | 63.955246 |
Chemical Identifiers
| CAS Number | 491879-29-9 |
|---|---|
| SMILES | B(C=CCCl)(O)O |
Product Overview
3-chloroprop-1-enylboronic Acid (CAS 491879-29-9), with molecular formula C3H6BClO2 and molecular weight 120.01 g/mol. IUPAC: 3-chloroprop-1-enylboronic acid.
Chemical Property Profile of 3-chloroprop-1-enylboronic Acid
Property Insights of 3-chloroprop-1-enylboronic Acid
The XLogP value of -0.2066 indicates that 3-chloroprop-1-enylboronic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.46 Ų, 3-chloroprop-1-enylboronic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloroprop-1-enylboronic 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
Frequently Asked Questions
What is the CAS number of 3-chloroprop-1-enylboronic Acid?
The CAS number of 3-chloroprop-1-enylboronic Acid is 491879-29-9.
What is the molecular formula of 3-chloroprop-1-enylboronic Acid?
The molecular formula of 3-chloroprop-1-enylboronic Acid is C3H6BClO2.
What is the molecular weight of 3-chloroprop-1-enylboronic Acid?
The molecular weight of 3-chloroprop-1-enylboronic Acid is 120.01 g/mol.
Where can I buy 3-chloroprop-1-enylboronic Acid?
You can request a quote for 3-chloroprop-1-enylboronic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloroprop-1-enylboronic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-chloroprop-1-enylboronic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.