丁基硼酸
TL;DR: 丁基硼酸 (CAS 4426-47-5) is a chemical compound with molecular formula C4H11BO2 and molecular weight 102.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁基硼酸
butylboronic acid
Also Known As: n-Butylboronic acid, BUTYLBORONIC ACID, 1-butylboronic acid, 1-Butaneboronic acid, N-butylboronate
| Molecular Formula | C4H11BO2 |
|---|---|
| Molecular Weight | 102.09 g/mol |
| LogP | 0.26 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 102.08521 |
| Heavy Atoms | 7 |
| Complexity | 38.0 |
| Vapor Pressure | 0.000548 [mmHg] |
Chemical Identifiers
| CAS Number | 4426-47-5 |
|---|---|
| SMILES | B(CCCC)(O)O |
| InChIKey | QPKFVRWIISEVCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁基硼酸 (CAS 4426-47-5), with molecular formula C4H11BO2 and molecular weight 102.09 g/mol. IUPAC: butylboronic acid.
Chemical Property Profile of 丁基硼酸
Property Insights of 丁基硼酸
The XLogP value of 0.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁基硼酸. With a topological polar surface area (TPSA) of 40.5 Ų, 丁基硼酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁基硼酸 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 丁基硼酸?
The CAS number of 丁基硼酸 is 4426-47-5.
What is the molecular formula of 丁基硼酸?
The molecular formula of 丁基硼酸 is C4H11BO2.
What is the molecular weight of 丁基硼酸?
The molecular weight of 丁基硼酸 is 102.09 g/mol.
Where can I buy 丁基硼酸?
You can request a quote for 丁基硼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基硼酸?
Yes, KEHONG BIO provides custom synthesis services for 丁基硼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.