1-Diazo-3-methyl-4-phenylbut-3-en-2-one
TL;DR: 1-Diazo-3-methyl-4-phenylbut-3-en-2-one (CAS 29166-17-4) is a chemical compound with molecular formula C11H10N2O and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diazo-3-methyl-4-phenylbut-3-en-2-one
Also Known As: 1-diazonio-3-methyl-4-phenylbuta-1,3-dien-2-olate, 1-diazonio-3-methyl-4-phenyl-buta-1,3-dien-2-olate, (1Z,3Z)-1-Diazonio-3-methyl-4-phenylbuta-1,3-dien-2-olate
| Molecular Formula | C11H10N2O |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 1.9596 |
| Topological Polar Surface Area | 53.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.07932 |
| Heavy Atoms | 14 |
| Complexity | 400.5555 |
Chemical Identifiers
| CAS Number | 29166-17-4 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1)C(=O)C=[N+]=[N-] |
Product Overview
1-Diazo-3-methyl-4-phenylbut-3-en-2-one (CAS 29166-17-4), with molecular formula C11H10N2O and molecular weight 186.08 g/mol. IUPAC: 1-diazo-3-methyl-4-phenylbut-3-en-2-one.
Chemical Property Profile of 1-Diazo-3-methyl-4-phenylbut-3-en-2-one
Property Insights of 1-Diazo-3-methyl-4-phenylbut-3-en-2-one
The XLogP value of 1.9596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Diazo-3-methyl-4-phenylbut-3-en-2-one. With a topological polar surface area (TPSA) of 53.47 Ų, 1-Diazo-3-methyl-4-phenylbut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Diazo-3-methyl-4-phenylbut-3-en-2-one has 0 hydrogen bond donor(s) and 1 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 1-Diazo-3-methyl-4-phenylbut-3-en-2-one?
The CAS number of 1-Diazo-3-methyl-4-phenylbut-3-en-2-one is 29166-17-4.
What is the molecular formula of 1-Diazo-3-methyl-4-phenylbut-3-en-2-one?
The molecular formula of 1-Diazo-3-methyl-4-phenylbut-3-en-2-one is C11H10N2O.
What is the molecular weight of 1-Diazo-3-methyl-4-phenylbut-3-en-2-one?
The molecular weight of 1-Diazo-3-methyl-4-phenylbut-3-en-2-one is 186.08 g/mol.
Where can I buy 1-Diazo-3-methyl-4-phenylbut-3-en-2-one?
You can request a quote for 1-Diazo-3-methyl-4-phenylbut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Diazo-3-methyl-4-phenylbut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Diazo-3-methyl-4-phenylbut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.