![tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate structure](/static/products/1381/138165-79-4.webp)
tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate
TL;DR: tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate (CAS 138165-79-4) is a chemical compound with molecular formula C16H19N3O2 and molecular weight 285.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate
Also Known As: BOC-(S)-2-AMINO-3-(3-INDOLYL)-PROPIONITRILE, Boc-(S)-2-amino-3-(3-indolyl)propionitrile, 6218AH, tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate, (S)-tert-Butyl (1-cyano-2-(1H-indol-3-yl)ethyl)carbamate
| Molecular Formula | C16H19N3O2 |
|---|---|
| Molecular Weight | 285.15 g/mol |
| LogP | 3.12728 |
| Topological Polar Surface Area | 77.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.14774 |
| Heavy Atoms | 21 |
| Complexity | 676.6223 |
Chemical Identifiers
| CAS Number | 138165-79-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C#N |
Product Overview
tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate (CAS 138165-79-4), with molecular formula C16H19N3O2 and molecular weight 285.15 g/mol. IUPAC: tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate.
Chemical Property Profile of tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate
Property Insights of tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate
The XLogP value of 3.12728 indicates that tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.91 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate. Following Lipinski's Rule of Five, tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate has 2 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 tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate?
The CAS number of tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate is 138165-79-4.
What is the molecular formula of tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate?
The molecular formula of tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate is C16H19N3O2.
What is the molecular weight of tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate?
The molecular weight of tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate is 285.15 g/mol.
Where can I buy tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate?
You can request a quote for tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.