(4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
TL;DR: (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone (CAS 727994-83-4) is a chemical compound with molecular formula C16H13NO6 and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
Also Known As: (4-methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone, A3809/0161686, (4-methoxyphenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
| Molecular Formula | C16H13NO6 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 2.6056 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.07428 |
| Heavy Atoms | 23 |
| Complexity | 768.8851 |
Chemical Identifiers
| CAS Number | 727994-83-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3 |
Product Overview
(4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone (CAS 727994-83-4), with molecular formula C16H13NO6 and molecular weight 315.07 g/mol. IUPAC: (4-methoxyphenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone.
Chemical Property Profile of (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
Property Insights of (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
The XLogP value of 2.6056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone. Following Lipinski's Rule of Five, (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone 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 (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The CAS number of (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone is 727994-83-4.
What is the molecular formula of (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The molecular formula of (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone is C16H13NO6.
What is the molecular weight of (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The molecular weight of (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone is 315.07 g/mol.
Where can I buy (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
You can request a quote for (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Methoxyphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.