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Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate
TL;DR: Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate (CAS 6664-57-9) is a chemical compound with molecular formula C15H11ClN2O6 and molecular weight 350.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl N-(2-chloro-4-nitrophenyl)carbamate
Also Known As: Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate, PIPERONYL N-(2-CHLORO-4-NITROPHENYL)CARBAMATE, (2H-1,3-Benzodioxol-5-yl)methyl (2-chloro-4-nitrophenyl)carbamate, 1,3-benzodioxol-5-ylmethyl N-(2-chloro-4-nitrophenyl)carbamate, 2H-1,3-benzodioxol-5-ylmethyl N-(2-chloro-4-nitrophenyl)carbamate
| Molecular Formula | C15H11ClN2O6 |
|---|---|
| Molecular Weight | 350.03 g/mol |
| LogP | 3.7256 |
| Topological Polar Surface Area | 99.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.03058 |
| Heavy Atoms | 24 |
| Complexity | 810.54645 |
Chemical Identifiers
| CAS Number | 6664-57-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)COC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate (CAS 6664-57-9), with molecular formula C15H11ClN2O6 and molecular weight 350.03 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl N-(2-chloro-4-nitrophenyl)carbamate.
Chemical Property Profile of Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate
Property Insights of Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate
The XLogP value of 3.7256 indicates that Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate. Following Lipinski's Rule of Five, Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate has 1 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 Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate?
The CAS number of Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate is 6664-57-9.
What is the molecular formula of Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate?
The molecular formula of Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate is C15H11ClN2O6.
What is the molecular weight of Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate?
The molecular weight of Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate is 350.03 g/mol.
Where can I buy Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate?
You can request a quote for Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzo[1,3]dioxol-5-ylmethyl N-(2-chloro-4-nitro-phenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.