(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate
TL;DR: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate (CAS 736191-66-5) is a chemical compound with molecular formula C14H15NO6 and molecular weight 293.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate
Also Known As: AB00610878-02, (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate, (6-Nitro-2H,4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate
| Molecular Formula | C14H15NO6 |
|---|---|
| Molecular Weight | 293.09 g/mol |
| LogP | 2.4707 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.08994 |
| Heavy Atoms | 21 |
| Complexity | 603.7269 |
Chemical Identifiers
| CAS Number | 736191-66-5 |
|---|---|
| SMILES | CC(=CC(=O)OCC1=CC(=CC2=C1OCOC2)[N+](=O)[O-])C |
Product Overview
(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate (CAS 736191-66-5), with molecular formula C14H15NO6 and molecular weight 293.09 g/mol. IUPAC: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate.
Chemical Property Profile of (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate
Property Insights of (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate
The XLogP value of 2.4707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate. Following Lipinski's Rule of Five, (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate has 0 hydrogen bond donor(s) and 6 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 (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate?
The CAS number of (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate is 736191-66-5.
What is the molecular formula of (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate?
The molecular formula of (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate is C14H15NO6.
What is the molecular weight of (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate?
The molecular weight of (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate is 293.09 g/mol.
Where can I buy (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate?
You can request a quote for (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.