4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane
TL;DR: 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane (CAS 53460-81-4) is a chemical compound with molecular formula C10H10ClNO4 and molecular weight 243.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane
Also Known As: 4-(chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane, 4-(Chloromethyl)-2-(o-nitrophenyl)-1,3-dioxolane, 1,3-DIOXOLANE, 4-(CHLOROMETHYL)-2-(o-NITROPHENYL)-, 4-Chloromethyl-2-(2-nitrophenyl)-1,3-dioxolane, 1,3-Dioxolane, 4-(chloromethyl)-2-(2-nitrophenyl)-
| Molecular Formula | C10H10ClNO4 |
|---|---|
| Molecular Weight | 243.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.02983 |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 53460-81-4 |
|---|---|
| SMILES | C1C(OC(O1)C2=CC=CC=C2[N+](=O)[O-])CCl |
| InChIKey | LQLVIUVTQZTSAJ-UHFFFAOYSA-N |
Product Overview
4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane (CAS 53460-81-4), with molecular formula C10H10ClNO4 and molecular weight 243.03 g/mol. IUPAC: 4-(chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane.
Chemical Property Profile of 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane
Property Insights of 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane. Following Lipinski's Rule of Five, 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane 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 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane?
The CAS number of 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane is 53460-81-4.
What is the molecular formula of 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane?
The molecular formula of 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane is C10H10ClNO4.
What is the molecular weight of 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane?
The molecular weight of 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane is 243.03 g/mol.
Where can I buy 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane?
You can request a quote for 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)-2-(2-nitrophenyl)-1,3-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.