(1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid
TL;DR: (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid (CAS 1000068-66-5) is a chemical compound with molecular formula C14H18BNO4 and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Also Known As: 1-Boc-7-methyl-indole-2-boronic acid, (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid, 1-BOC-7-METHYLINDOLE-2-BORONIC ACID, [7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic Acid, 1H-INDOLE-1-CARBOXYLIC ACID, 2-BORONO-7-METHYL-, 1-(1,1-DIMETHYLETHYL) ESTER
| Molecular Formula | C14H18BNO4 |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | 1.41272 |
| Topological Polar Surface Area | 71.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.13287 |
| Heavy Atoms | 20 |
| Complexity | 654.973 |
Chemical Identifiers
| CAS Number | 1000068-66-5 |
|---|---|
| SMILES | B(C1=CC2=CC=CC(=C2N1C(=O)OC(C)(C)C)C)(O)O |
Product Overview
(1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid (CAS 1000068-66-5), with molecular formula C14H18BNO4 and molecular weight 275.13 g/mol. IUPAC: [7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid.
Chemical Property Profile of (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid
Property Insights of (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid
The XLogP value of 1.41272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid. The TPSA of 71.69 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid. Following Lipinski's Rule of Five, (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)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
Frequently Asked Questions
What is the CAS number of (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid?
The CAS number of (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid is 1000068-66-5.
What is the molecular formula of (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid?
The molecular formula of (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid is C14H18BNO4.
What is the molecular weight of (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid?
The molecular weight of (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid is 275.13 g/mol.
Where can I buy (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid?
You can request a quote for (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid?
Yes, KEHONG BIO provides custom synthesis services for (1-(tert-Butoxycarbonyl)-7-methyl-1H-indol-2-yl)boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.