4-乙氧羰基苯硼酸
TL;DR: 4-乙氧羰基苯硼酸 (CAS 171364-80-0) is a chemical compound with molecular formula C9H11BO4 and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙氧羰基苯硼酸
(4-ethoxycarbonylphenyl)boronic acid
Also Known As: 4-Ethoxycarbonylphenylboronic acid, (4-Ethoxycarbonylphenyl)Boronic Acid, 4-(ethoxycarbonyl)phenylboronic acid, Butylate, Ethyl 4-boronobenzoate
| Molecular Formula | C9H11BO4 |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | -0.4569 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.07504 |
| Heavy Atoms | 14 |
| Complexity | 307.09293 |
Chemical Identifiers
| CAS Number | 171364-80-0 |
|---|---|
| SMILES | B(C1=CC=C(C=C1)C(=O)OCC)(O)O |
Product Overview
4-乙氧羰基苯硼酸 (CAS 171364-80-0), with molecular formula C9H11BO4 and molecular weight 194.08 g/mol. IUPAC: (4-ethoxycarbonylphenyl)boronic acid.
Chemical Property Profile of 4-乙氧羰基苯硼酸
Property Insights of 4-乙氧羰基苯硼酸
The XLogP value of -0.4569 indicates that 4-乙氧羰基苯硼酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-乙氧羰基苯硼酸. Following Lipinski's Rule of Five, 4-乙氧羰基苯硼酸 has 2 hydrogen bond donor(s) and 4 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-乙氧羰基苯硼酸?
The CAS number of 4-乙氧羰基苯硼酸 is 171364-80-0.
What is the molecular formula of 4-乙氧羰基苯硼酸?
The molecular formula of 4-乙氧羰基苯硼酸 is C9H11BO4.
What is the molecular weight of 4-乙氧羰基苯硼酸?
The molecular weight of 4-乙氧羰基苯硼酸 is 194.08 g/mol.
Where can I buy 4-乙氧羰基苯硼酸?
You can request a quote for 4-乙氧羰基苯硼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙氧羰基苯硼酸?
Yes, KEHONG BIO provides custom synthesis services for 4-乙氧羰基苯硼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.