1-Boc-5-methylindole-2-boronic acid
TL;DR: 1-Boc-5-methylindole-2-boronic acid (CAS 13590-82-4) is a chemical compound with molecular formula C14H18BNO4 and molecular weight 275.13287 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Also Known As: 1-BOC-5-methylindole-2-boronic acid, (1-(tert-Butoxycarbonyl)-5-methyl-1H-indol-2-yl)boronic acid, 1-BOC-5-METHYL-1H-INDOLE-2-BORONIC ACID, N-BOC-5-METHYL-1H-INDOLE-2-BORONIC ACID, [5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic Acid
Technical Specifications
| Molecular Formula | C14H18BNO4 |
| Molecular Weight | 275.13287 g/mol |
| XLogP | 1.41272 |
| Topological Polar Surface Area (TPSA) | 71.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.13287 Da |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
| SMILES | B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)C)(O)O |
| InChIKey | PEOOUPNYKOKTRH-UHFFFAOYSA-N |
Chemical Property Profile of 1-Boc-5-methylindole-2-boronic acid
Property Insights of 1-Boc-5-methylindole-2-boronic acid
The XLogP value of 1.41272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Boc-5-methylindole-2-boronic acid. The TPSA of 71.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Boc-5-methylindole-2-boronic acid. Following Lipinski's Rule of Five, 1-Boc-5-methylindole-2-boronic 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 1-Boc-5-methylindole-2-boronic acid?
The CAS number of 1-Boc-5-methylindole-2-boronic acid is 13590-82-4.
What is the molecular formula of 1-Boc-5-methylindole-2-boronic acid?
The molecular formula of 1-Boc-5-methylindole-2-boronic acid is C14H18BNO4.
What is the molecular weight of 1-Boc-5-methylindole-2-boronic acid?
The molecular weight of 1-Boc-5-methylindole-2-boronic acid is 275.13287 g/mol.
Where can I buy 1-Boc-5-methylindole-2-boronic acid?
You can request a quote for 1-Boc-5-methylindole-2-boronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Boc-5-methylindole-2-boronic acid?
Yes, CoreyChem provides custom synthesis services for 1-Boc-5-methylindole-2-boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.