3-(Bromomethyl)-1H-indole, N-BOC protected
TL;DR: 3-(Bromomethyl)-1H-indole, N-BOC protected (CAS 98359-78-5) is a chemical compound with molecular formula C14H16BrNO2 and molecular weight 309.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-(bromomethyl)indole-1-carboxylate
Also Known As: tert-Butyl 3-(bromomethyl)-1H-indole-1-carboxylate, tert-Butyl 3-Bromomethyl-indole-1-carboxylate, t-Butyl-3-bromomethylindole-1-carboxylate, tert-butyl 3-(bromomethyl)indole-1-carboxylate, tert-butyl 3-bromomethylindole-1-carboxylate
| Molecular Formula | C14H16BrNO2 |
|---|---|
| Molecular Weight | 309.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.03644 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 98359-78-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CBr |
| InChIKey | NRFDZZBPGMUOQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Bromomethyl)-1H-indole, N-BOC protected (CAS 98359-78-5), with molecular formula C14H16BrNO2 and molecular weight 309.04 g/mol. IUPAC: tert-butyl 3-(bromomethyl)indole-1-carboxylate.
Chemical Property Profile of 3-(Bromomethyl)-1H-indole, N-BOC protected
Property Insights of 3-(Bromomethyl)-1H-indole, N-BOC protected
The XLogP value of 3.8 indicates that 3-(Bromomethyl)-1H-indole, N-BOC protected is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.2 Ų, 3-(Bromomethyl)-1H-indole, N-BOC protected exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Bromomethyl)-1H-indole, N-BOC protected has 0 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 3-(Bromomethyl)-1H-indole, N-BOC protected?
The CAS number of 3-(Bromomethyl)-1H-indole, N-BOC protected is 98359-78-5.
What is the molecular formula of 3-(Bromomethyl)-1H-indole, N-BOC protected?
The molecular formula of 3-(Bromomethyl)-1H-indole, N-BOC protected is C14H16BrNO2.
What is the molecular weight of 3-(Bromomethyl)-1H-indole, N-BOC protected?
The molecular weight of 3-(Bromomethyl)-1H-indole, N-BOC protected is 309.04 g/mol.
Where can I buy 3-(Bromomethyl)-1H-indole, N-BOC protected?
You can request a quote for 3-(Bromomethyl)-1H-indole, N-BOC protected directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Bromomethyl)-1H-indole, N-BOC protected?
Yes, KEHONG BIO provides custom synthesis services for 3-(Bromomethyl)-1H-indole, N-BOC protected and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.