3-氨基苯基硼酸
TL;DR: 3-氨基苯基硼酸 (CAS 30418-59-8) is a chemical compound with molecular formula C6H8BNO2 and molecular weight 137.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基苯基硼酸
(3-aminophenyl)boronic acid
Also Known As: 3-Aminophenylboronic acid, 3-Aminobenzeneboronic acid, (3-aminophenyl)boronic acid, M-AMINOPHENYLBORONIC ACID, 3-Boronoaniline
| Molecular Formula | C6H8BNO2 |
|---|---|
| Molecular Weight | 137.06 g/mol |
| LogP | -1.05 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.0648 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 30418-59-8 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)N)(O)O |
| InChIKey | JMZFEHDNIAQMNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氨基苯基硼酸 (CAS 30418-59-8), with molecular formula C6H8BNO2 and molecular weight 137.06 g/mol. IUPAC: (3-aminophenyl)boronic acid.
Chemical Property Profile of 3-氨基苯基硼酸
Property Insights of 3-氨基苯基硼酸
The XLogP value of -1.05 indicates that 3-氨基苯基硼酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氨基苯基硼酸. Following Lipinski's Rule of Five, 3-氨基苯基硼酸 has 3 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-氨基苯基硼酸?
The CAS number of 3-氨基苯基硼酸 is 30418-59-8.
What is the molecular formula of 3-氨基苯基硼酸?
The molecular formula of 3-氨基苯基硼酸 is C6H8BNO2.
What is the molecular weight of 3-氨基苯基硼酸?
The molecular weight of 3-氨基苯基硼酸 is 137.06 g/mol.
Where can I buy 3-氨基苯基硼酸?
You can request a quote for 3-氨基苯基硼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氨基苯基硼酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基苯基硼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.