Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate
TL;DR: Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate (CAS 79069-51-5) is a chemical compound with molecular formula C10H19NO3 and molecular weight 201.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(3-methyl-1-oxobutan-2-yl)carbamate
Also Known As: Boc-L-Valinal, N-Boc-D-valinal, Boc-D-Val-aldehyde, tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate, tert-Butyl (3-methyl-1-oxobutan-2-yl)carbamate
| Molecular Formula | C10H19NO3 |
|---|---|
| Molecular Weight | 201.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 201.13649 |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 79069-51-5 |
|---|---|
| SMILES | CC(C)C(C=O)NC(=O)OC(C)(C)C |
| InChIKey | YMNBXYLOSIKZGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate (CAS 79069-51-5), with molecular formula C10H19NO3 and molecular weight 201.14 g/mol. IUPAC: tert-butyl N-(3-methyl-1-oxobutan-2-yl)carbamate.
Chemical Property Profile of Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate
Property Insights of Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate. With a topological polar surface area (TPSA) of 55.4 Ų, Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate 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 3-methyl-1-oxobutan-2-ylcarbamate?
The CAS number of Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate is 79069-51-5.
What is the molecular formula of Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate?
The molecular formula of Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate is C10H19NO3.
What is the molecular weight of Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate?
The molecular weight of Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate is 201.14 g/mol.
Where can I buy Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate?
You can request a quote for Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.