![4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid structure](/static/products/1050/1050510-12-7.webp)
4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid
TL;DR: 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid (CAS 1050510-12-7) is a chemical compound with molecular formula C12H13BO3S and molecular weight 248.06784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(thiophen-2-ylmethoxymethyl)phenyl]boronic acid
Also Known As: starbld0018360, 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid, (4-((Thiophen-2-ylmethoxy)methyl)phenyl)boronic acid, [4-(thiophen-2-ylmethoxymethyl)phenyl]boronic Acid, (Thien-2-ylMethoxy)Methylphenylboronic acid
Technical Specifications
| Molecular Formula | C12H13BO3S |
| Molecular Weight | 248.06784 g/mol |
| XLogP | 1.1447 |
| Topological Polar Surface Area (TPSA) | 77.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.06784 Da |
| Heavy Atoms | 17 |
| Complexity | 220.0 |
| SMILES | B(C1=CC=C(C=C1)COCC2=CC=CS2)(O)O |
| InChIKey | VNHRAFWDOVYDFC-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid
Property Insights of 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid
The XLogP value of 1.1447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid. Following Lipinski's Rule of Five, 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid 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
What is the CAS number of 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid?
The CAS number of 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid is 1050510-12-7.
What is the molecular formula of 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid?
The molecular formula of 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid is C12H13BO3S.
What is the molecular weight of 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid?
The molecular weight of 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid is 248.06784 g/mol.
Where can I buy 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid?
You can request a quote for 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid?
Yes, CoreyChem provides custom synthesis services for 4-[(Thien-2-ylmethoxy)methyl]benzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.