1-Boc-5-cyanoindole
TL;DR: 1-Boc-5-cyanoindole (CAS 475102-10-4) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 5-cyanoindole-1-carboxylate
Also Known As: 1-Boc-5-cyanoindole, tert-butyl 5-cyano-1H-indole-1-carboxylate, n-boc-5-cyanoindole, tert-butyl 5-cyanoindole-1-carboxylate, 1-BOC-5-CYANO-1H-INDOLE
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 3.29618 |
| Topological Polar Surface Area | 55.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 641.83826 |
Chemical Identifiers
| CAS Number | 475102-10-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)C#N |
Product Overview
1-Boc-5-cyanoindole (CAS 475102-10-4), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: tert-butyl 5-cyanoindole-1-carboxylate.
Chemical Property Profile of 1-Boc-5-cyanoindole
Property Insights of 1-Boc-5-cyanoindole
The XLogP value of 3.29618 indicates that 1-Boc-5-cyanoindole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.02 Ų, 1-Boc-5-cyanoindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Boc-5-cyanoindole has 0 hydrogen bond donor(s) and 3 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-Boc-5-cyanoindole?
The CAS number of 1-Boc-5-cyanoindole is 475102-10-4.
What is the molecular formula of 1-Boc-5-cyanoindole?
The molecular formula of 1-Boc-5-cyanoindole is C14H14N2O2.
What is the molecular weight of 1-Boc-5-cyanoindole?
The molecular weight of 1-Boc-5-cyanoindole is 242.11 g/mol.
Where can I buy 1-Boc-5-cyanoindole?
You can request a quote for 1-Boc-5-cyanoindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Boc-5-cyanoindole?
Yes, KEHONG BIO provides custom synthesis services for 1-Boc-5-cyanoindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.