1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate
TL;DR: 1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate (CAS 199336-83-9) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(1-oxo-3-phenylpropan-2-yl)carbamate
Also Known As: N-Boc-L-phenylalaninal, boc-phe-cho, boc-l-phenylalaninal, tert-butyl N-(1-benzyl-2-oxoethyl)carbamate, N-Boc-phenylalaninal
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 199336-83-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C=O |
| InChIKey | ZJTYRNPLVNMVPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate (CAS 199336-83-9), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: tert-butyl N-(1-oxo-3-phenylpropan-2-yl)carbamate.
Chemical Property Profile of 1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate
Property Insights of 1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate. With a topological polar surface area (TPSA) of 55.4 Ų, 1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate has 1 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 1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate?
The CAS number of 1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate is 199336-83-9.
What is the molecular formula of 1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate?
The molecular formula of 1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate is C14H19NO3.
What is the molecular weight of 1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate?
The molecular weight of 1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate is 249.14 g/mol.
Where can I buy 1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate?
You can request a quote for 1,1-Dimethylethyl N-(1-formyl-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 1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.