1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol
TL;DR: 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol (CAS 58345-07-6) is a chemical compound with molecular formula C14H17NO5 and molecular weight 279.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)pent-1-en-3-ol
Also Known As: 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol
| Molecular Formula | C14H17NO5 |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 2.7437 |
| Topological Polar Surface Area | 81.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.1107 |
| Heavy Atoms | 20 |
| Complexity | 559.4181 |
Chemical Identifiers
| CAS Number | 58345-07-6 |
|---|---|
| SMILES | CC(C)(C)C(C=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2)O |
Product Overview
1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol (CAS 58345-07-6), with molecular formula C14H17NO5 and molecular weight 279.11 g/mol. IUPAC: 4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)pent-1-en-3-ol.
Chemical Property Profile of 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol
Property Insights of 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol
The XLogP value of 2.7437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol. The TPSA of 81.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol. Following Lipinski's Rule of Five, 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol has 1 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-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol?
The CAS number of 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol is 58345-07-6.
What is the molecular formula of 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol?
The molecular formula of 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol is C14H17NO5.
What is the molecular weight of 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol?
The molecular weight of 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol is 279.11 g/mol.
Where can I buy 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol?
You can request a quote for 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.