N-(tert-butyl)-2-chloro-3-oxobutanamide
TL;DR: N-(tert-butyl)-2-chloro-3-oxobutanamide (CAS 67271-68-5) is a chemical compound with molecular formula C8H14ClNO2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-chloro-3-oxobutanamide
Also Known As: 2-Chloro-N-tert-butylacetoacetamide, N-(tert-butyl)-2-chloro-3-oxobutanamide, N-tert-butyl-2-chloro-3-oxobutanamide, 2-chloro-3-oxo-N-tert-butyl-butanamide
| Molecular Formula | C8H14ClNO2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 1.0975 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.0713 |
| Heavy Atoms | 12 |
| Complexity | 195.72476 |
Chemical Identifiers
| CAS Number | 67271-68-5 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC(C)(C)C)Cl |
Product Overview
N-(tert-butyl)-2-chloro-3-oxobutanamide (CAS 67271-68-5), with molecular formula C8H14ClNO2 and molecular weight 191.07 g/mol. IUPAC: N-tert-butyl-2-chloro-3-oxobutanamide.
Chemical Property Profile of N-(tert-butyl)-2-chloro-3-oxobutanamide
Property Insights of N-(tert-butyl)-2-chloro-3-oxobutanamide
The XLogP value of 1.0975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-butyl)-2-chloro-3-oxobutanamide. With a topological polar surface area (TPSA) of 46.17 Ų, N-(tert-butyl)-2-chloro-3-oxobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(tert-butyl)-2-chloro-3-oxobutanamide has 1 hydrogen bond donor(s) and 2 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 N-(tert-butyl)-2-chloro-3-oxobutanamide?
The CAS number of N-(tert-butyl)-2-chloro-3-oxobutanamide is 67271-68-5.
What is the molecular formula of N-(tert-butyl)-2-chloro-3-oxobutanamide?
The molecular formula of N-(tert-butyl)-2-chloro-3-oxobutanamide is C8H14ClNO2.
What is the molecular weight of N-(tert-butyl)-2-chloro-3-oxobutanamide?
The molecular weight of N-(tert-butyl)-2-chloro-3-oxobutanamide is 191.07 g/mol.
Where can I buy N-(tert-butyl)-2-chloro-3-oxobutanamide?
You can request a quote for N-(tert-butyl)-2-chloro-3-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-butyl)-2-chloro-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)-2-chloro-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.