tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate
TL;DR: tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate (CAS 794-13-8) is a chemical compound with molecular formula C8H15NO3 and molecular weight 173.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S)-1-oxopropan-2-yl]carbamate
Also Known As: Boc-L-alaninal, Boc-Ala-Aldehyde, Boc-L-alanine aldehyde, n-boc-l-alaninal, (S)-tert-Butyl (1-oxopropan-2-yl)carbamate
| Molecular Formula | C8H15NO3 |
|---|---|
| Molecular Weight | 173.11 g/mol |
| LogP | 1.0985 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.1052 |
| Heavy Atoms | 12 |
| Complexity | 171.632 |
Chemical Identifiers
| CAS Number | 794-13-8 |
|---|---|
| SMILES | C[C@@H](C=O)NC(=O)OC(C)(C)C |
Product Overview
tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate (CAS 794-13-8), with molecular formula C8H15NO3 and molecular weight 173.11 g/mol. IUPAC: tert-butyl N-[(2S)-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate
Property Insights of tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate
The XLogP value of 1.0985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate. With a topological polar surface area (TPSA) of 55.4 Ų, tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-((2S)-1-oxopropan-2-yl)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 tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate?
The CAS number of tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate is 794-13-8.
What is the molecular formula of tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate?
The molecular formula of tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate is C8H15NO3.
What is the molecular weight of tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate?
The molecular weight of tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate is 173.11 g/mol.
Where can I buy tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate?
You can request a quote for tert-butyl N-((2S)-1-oxopropan-2-yl)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-((2S)-1-oxopropan-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.