8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine
TL;DR: 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine (CAS 99849-17-9) is a chemical compound with molecular formula C9H8ClNO4 and molecular weight 229.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(chloromethyl)-6-nitro-4H-1,3-benzodioxine
Also Known As: 8-Chloromethyl-6-nitro-4H-benzo[1,3]dioxine, 8-(chloromethyl)-6-nitro-4H-1,3-benzodioxine, 8-(chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine, 8-CHLOROMETHYL-6-NITROBENZO-1,3-DIOXAN, 8-(Chloromethyl)-6-nitro-4H-benzo[d][1,3]dioxine
| Molecular Formula | C9H8ClNO4 |
|---|---|
| Molecular Weight | 229.01 g/mol |
| LogP | 2.2001 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.01419 |
| Heavy Atoms | 15 |
| Complexity | 390.09396 |
Chemical Identifiers
| CAS Number | 99849-17-9 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)[N+](=O)[O-])CCl)OCO1 |
Product Overview
8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine (CAS 99849-17-9), with molecular formula C9H8ClNO4 and molecular weight 229.01 g/mol. IUPAC: 8-(chloromethyl)-6-nitro-4H-1,3-benzodioxine.
Chemical Property Profile of 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine
Property Insights of 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine
The XLogP value of 2.2001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine. Following Lipinski's Rule of Five, 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine 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 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine?
The CAS number of 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine is 99849-17-9.
What is the molecular formula of 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine?
The molecular formula of 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine is C9H8ClNO4.
What is the molecular weight of 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine?
The molecular weight of 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine is 229.01 g/mol.
Where can I buy 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine?
You can request a quote for 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine?
Yes, KEHONG BIO provides custom synthesis services for 8-(Chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.