5-(Chloromethyl)-6-nitro-1,3-benzodioxole
TL;DR: 5-(Chloromethyl)-6-nitro-1,3-benzodioxole (CAS 15862-98-3) is a chemical compound with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-6-nitro-1,3-benzodioxole
Also Known As: 5-(chloromethyl)-6-nitro-1,3-benzodioxole, 5-Chlormethyl-6-nitro-benzo[1,3]dioxol, 5-chloromethyl-6-nitrobenzo[1,3]dioxole, 5-(chloromethyl)-6-nitrobenzo[d][1,3]dioxole, 5-Nitro-6-(chloromethyl)-1,3-benzodioxole
| Molecular Formula | C8H6ClNO4 |
|---|---|
| Molecular Weight | 215.00 g/mol |
| LogP | 2.0623 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.99854 |
| Heavy Atoms | 14 |
| Complexity | 393.17282 |
Chemical Identifiers
| CAS Number | 15862-98-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CCl)[N+](=O)[O-] |
Product Overview
5-(Chloromethyl)-6-nitro-1,3-benzodioxole (CAS 15862-98-3), with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol. IUPAC: 5-(chloromethyl)-6-nitro-1,3-benzodioxole.
Chemical Property Profile of 5-(Chloromethyl)-6-nitro-1,3-benzodioxole
Property Insights of 5-(Chloromethyl)-6-nitro-1,3-benzodioxole
The XLogP value of 2.0623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Chloromethyl)-6-nitro-1,3-benzodioxole. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Chloromethyl)-6-nitro-1,3-benzodioxole. Following Lipinski's Rule of Five, 5-(Chloromethyl)-6-nitro-1,3-benzodioxole has 0 hydrogen bond donor(s) and 4 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 5-(Chloromethyl)-6-nitro-1,3-benzodioxole?
The CAS number of 5-(Chloromethyl)-6-nitro-1,3-benzodioxole is 15862-98-3.
What is the molecular formula of 5-(Chloromethyl)-6-nitro-1,3-benzodioxole?
The molecular formula of 5-(Chloromethyl)-6-nitro-1,3-benzodioxole is C8H6ClNO4.
What is the molecular weight of 5-(Chloromethyl)-6-nitro-1,3-benzodioxole?
The molecular weight of 5-(Chloromethyl)-6-nitro-1,3-benzodioxole is 215.00 g/mol.
Where can I buy 5-(Chloromethyl)-6-nitro-1,3-benzodioxole?
You can request a quote for 5-(Chloromethyl)-6-nitro-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Chloromethyl)-6-nitro-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)-6-nitro-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.