tert-butyl N-(2-oxopropyl)carbamate
TL;DR: tert-butyl N-(2-oxopropyl)carbamate (CAS 170384-29-9) 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-(2-oxopropyl)carbamate
Also Known As: tert-Butyl (2-oxopropyl)carbamate, (2-Oxopropyl)carbamic acid tert-butyl ester, tert-butyl N-(2-oxopropyl)carbamate, Boc-Gly-Me, tert-butyl N-acetonylcarbamate
| Molecular Formula | C8H15NO3 |
|---|---|
| Molecular Weight | 173.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.1052 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 170384-29-9 |
|---|---|
| SMILES | CC(=O)CNC(=O)OC(C)(C)C |
| InChIKey | OZGMUQGCAFEQOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-butyl N-(2-oxopropyl)carbamate (CAS 170384-29-9), with molecular formula C8H15NO3 and molecular weight 173.11 g/mol. IUPAC: tert-butyl N-(2-oxopropyl)carbamate.
Chemical Property Profile of tert-butyl N-(2-oxopropyl)carbamate
Property Insights of tert-butyl N-(2-oxopropyl)carbamate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(2-oxopropyl)carbamate. With a topological polar surface area (TPSA) of 55.4 Ų, tert-butyl N-(2-oxopropyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-(2-oxopropyl)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-(2-oxopropyl)carbamate?
The CAS number of tert-butyl N-(2-oxopropyl)carbamate is 170384-29-9.
What is the molecular formula of tert-butyl N-(2-oxopropyl)carbamate?
The molecular formula of tert-butyl N-(2-oxopropyl)carbamate is C8H15NO3.
What is the molecular weight of tert-butyl N-(2-oxopropyl)carbamate?
The molecular weight of tert-butyl N-(2-oxopropyl)carbamate is 173.11 g/mol.
Where can I buy tert-butyl N-(2-oxopropyl)carbamate?
You can request a quote for tert-butyl N-(2-oxopropyl)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-(2-oxopropyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(2-oxopropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.