![tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate structure](/static/products/109/109924-24-5.png)
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate
TL;DR: tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate (CAS 109924-24-5) is a chemical compound with molecular formula C16H21N3O3 and molecular weight 303.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
Also Known As: Boc-L-Phe-NHCH2CN, dipeptide-derived nitrile, 16, tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate, (-)-N-(tert-Butoxycarbonyl)-L-phenylalanyl-glycin-nitril, tert-Butyl 1-benzyl-2-[(cyanomethyl)amino]-2-oxoethylcarbamate
| Molecular Formula | C16H21N3O3 |
|---|---|
| Molecular Weight | 303.16 g/mol |
| LogP | 1.76218 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.1583 |
| Heavy Atoms | 22 |
| Complexity | 543.99475 |
Chemical Identifiers
| CAS Number | 109924-24-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC#N |
Product Overview
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate (CAS 109924-24-5), with molecular formula C16H21N3O3 and molecular weight 303.16 g/mol. IUPAC: tert-butyl N-[(2S)-1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate.
Chemical Property Profile of tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate
Property Insights of tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate
The XLogP value of 1.76218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate. Following Lipinski's Rule of Five, tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate 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 tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate?
The CAS number of tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate is 109924-24-5.
What is the molecular formula of tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate?
The molecular formula of tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate is C16H21N3O3.
What is the molecular weight of tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate?
The molecular weight of tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate is 303.16 g/mol.
Where can I buy tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate?
You can request a quote for tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]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-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.