N-(4-isopropylphenyl)-3-oxobutanamide
TL;DR: N-(4-isopropylphenyl)-3-oxobutanamide (CAS 6083-83-6) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-N-(4-propan-2-ylphenyl)butanamide
Also Known As: N-(4-isopropylphenyl)-3-oxobutanamide, 4-ISOPROPYLACETOACETANILID, 3-oxo-N-(4-propan-2-ylphenyl)butanamide, 3-OXO-N-[4-(PROPAN-2-YL)PHENYL]BUTANAMIDE, N-[4-(1-methylethyl)phenyl]-3-oxobutanamide
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.7276 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 379.424 |
Chemical Identifiers
| CAS Number | 6083-83-6 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)CC(=O)C |
Product Overview
N-(4-isopropylphenyl)-3-oxobutanamide (CAS 6083-83-6), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: 3-oxo-N-(4-propan-2-ylphenyl)butanamide.
Chemical Property Profile of N-(4-isopropylphenyl)-3-oxobutanamide
Property Insights of N-(4-isopropylphenyl)-3-oxobutanamide
The XLogP value of 2.7276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-isopropylphenyl)-3-oxobutanamide. With a topological polar surface area (TPSA) of 46.17 Ų, N-(4-isopropylphenyl)-3-oxobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-isopropylphenyl)-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-(4-isopropylphenyl)-3-oxobutanamide?
The CAS number of N-(4-isopropylphenyl)-3-oxobutanamide is 6083-83-6.
What is the molecular formula of N-(4-isopropylphenyl)-3-oxobutanamide?
The molecular formula of N-(4-isopropylphenyl)-3-oxobutanamide is C13H17NO2.
What is the molecular weight of N-(4-isopropylphenyl)-3-oxobutanamide?
The molecular weight of N-(4-isopropylphenyl)-3-oxobutanamide is 219.13 g/mol.
Where can I buy N-(4-isopropylphenyl)-3-oxobutanamide?
You can request a quote for N-(4-isopropylphenyl)-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-(4-isopropylphenyl)-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-isopropylphenyl)-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.