1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)-
TL;DR: 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)- (CAS 58344-82-4) is a chemical compound with molecular formula C14H15NO5 and molecular weight 277.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)pent-1-en-3-one
Also Known As: 4,4-Dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)-1-penten-3-one, 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)-, (E)-4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)pent-1-en-3-one, RefChem:1056243
| Molecular Formula | C14H15NO5 |
|---|---|
| Molecular Weight | 277.10 g/mol |
| LogP | 2.9519 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.09503 |
| Heavy Atoms | 20 |
| Complexity | 598.3172 |
Chemical Identifiers
| CAS Number | 58344-82-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)/C=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2 |
Product Overview
1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)- (CAS 58344-82-4), with molecular formula C14H15NO5 and molecular weight 277.10 g/mol. IUPAC: (E)-4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)pent-1-en-3-one.
Chemical Property Profile of 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)-
Property Insights of 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)-
The XLogP value of 2.9519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)-. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)-. Following Lipinski's Rule of Five, 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)- has 0 hydrogen bond donor(s) and 5 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-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)-?
The CAS number of 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)- is 58344-82-4.
What is the molecular formula of 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)-?
The molecular formula of 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)- is C14H15NO5.
What is the molecular weight of 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)-?
The molecular weight of 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)- is 277.10 g/mol.
Where can I buy 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)-?
You can request a quote for 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-3-one, 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.