4-(3-Methyl-2-butenoxy)isonitrosoacetophenone
TL;DR: 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone (CAS 143797-41-5) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-hydroxyimino-1-[4-(3-methylbut-2-enoxy)phenyl]ethanone
Also Known As: 4-MBI cpd, 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone, 4-(3-Methyl-2-butenoxy)-iso-nitroso-acetophenone, (2E)-2-hydroxyimino-1-[4-(3-methylbut-2-enoxy)phenyl]ethanone, 1-[4-(3-Methyl-2-butenyloxy)phenyl]-2-hydroxyiminoethanone
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 2.6743 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 428.48273 |
Chemical Identifiers
| CAS Number | 143797-41-5 |
|---|---|
| SMILES | CC(=CCOC1=CC=C(C=C1)C(=O)/C=N/O)C |
Product Overview
4-(3-Methyl-2-butenoxy)isonitrosoacetophenone (CAS 143797-41-5), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: (2E)-2-hydroxyimino-1-[4-(3-methylbut-2-enoxy)phenyl]ethanone.
Chemical Property Profile of 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone
Property Insights of 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone
The XLogP value of 2.6743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone. With a topological polar surface area (TPSA) of 58.89 Ų, 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone has 1 hydrogen bond donor(s) and 4 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 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone?
The CAS number of 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone is 143797-41-5.
What is the molecular formula of 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone?
The molecular formula of 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone is C13H15NO3.
What is the molecular weight of 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone?
The molecular weight of 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone is 233.11 g/mol.
Where can I buy 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone?
You can request a quote for 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methyl-2-butenoxy)isonitrosoacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.