4-氯苯硼酸
TL;DR: 4-氯苯硼酸 (CAS 1679-18-1) is a chemical compound with molecular formula C6H6BClO2 and molecular weight 156.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯苯硼酸
(4-chlorophenyl)boronic acid
Also Known As: 4-Chlorophenylboronic acid, (4-chlorophenyl)boronic acid, 4-Chlorobenzeneboronic acid, p-Chlorophenylboronic acid, p-Chlorobenzeneboronic acid
| Molecular Formula | C6H6BClO2 |
|---|---|
| Molecular Weight | 156.01 g/mol |
| LogP | 0.02 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.01494 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 1679-18-1 |
|---|---|
| SMILES | B(C1=CC=C(C=C1)Cl)(O)O |
| InChIKey | CAYQIZIAYYNFCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯苯硼酸 (CAS 1679-18-1), with molecular formula C6H6BClO2 and molecular weight 156.01 g/mol. IUPAC: (4-chlorophenyl)boronic acid.
Chemical Property Profile of 4-氯苯硼酸
Property Insights of 4-氯苯硼酸
The XLogP value of 0.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯苯硼酸. With a topological polar surface area (TPSA) of 40.5 Ų, 4-氯苯硼酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯苯硼酸 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 4-氯苯硼酸?
The CAS number of 4-氯苯硼酸 is 1679-18-1.
What is the molecular formula of 4-氯苯硼酸?
The molecular formula of 4-氯苯硼酸 is C6H6BClO2.
What is the molecular weight of 4-氯苯硼酸?
The molecular weight of 4-氯苯硼酸 is 156.01 g/mol.
Where can I buy 4-氯苯硼酸?
You can request a quote for 4-氯苯硼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯苯硼酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氯苯硼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.