1,4-苯二硼酸
TL;DR: 1,4-苯二硼酸 (CAS 4612-26-4) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-苯二硼酸
5-oxo-1-phenylpyrrolidine-3-carboxylic acid
Also Known As: 5-oxo-1-phenylpyrrolidine-3-carboxylic acid, 5-Oxo-1-phenyl-pyrrolidine-3-carboxylic acid, Maybridge1_007504, ChemDiv2_003327, 1,4-phenylenebis(boronic acid)
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.1241 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 388.0793 |
Chemical Identifiers
| CAS Number | 4612-26-4 |
|---|---|
| SMILES | C1C(CN(C1=O)C2=CC=CC=C2)C(=O)O |
Product Overview
1,4-苯二硼酸 (CAS 4612-26-4), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 5-oxo-1-phenylpyrrolidine-3-carboxylic acid.
Chemical Property Profile of 1,4-苯二硼酸
Property Insights of 1,4-苯二硼酸
The XLogP value of 1.1241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-苯二硼酸. With a topological polar surface area (TPSA) of 57.61 Ų, 1,4-苯二硼酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-苯二硼酸 has 1 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 1,4-苯二硼酸?
The CAS number of 1,4-苯二硼酸 is 4612-26-4.
What is the molecular formula of 1,4-苯二硼酸?
The molecular formula of 1,4-苯二硼酸 is C11H11NO3.
What is the molecular weight of 1,4-苯二硼酸?
The molecular weight of 1,4-苯二硼酸 is 205.07 g/mol.
Where can I buy 1,4-苯二硼酸?
You can request a quote for 1,4-苯二硼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-苯二硼酸?
Yes, KEHONG BIO provides custom synthesis services for 1,4-苯二硼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.