4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate
TL;DR: 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate (CAS 439093-98-8) is a chemical compound with molecular formula C18H11ClN2O6 and molecular weight 386.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl N-(3-chloro-1,4-dioxonaphthalen-2-yl)carbamate
Also Known As: Bionet1_004734, 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate, 11R-0279, (4-nitrophenyl)methyl N-(3-chloro-1,4-dioxonaphthalen-2-yl)carbamate, (4-nitrophenyl)methyl N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)carbamate
| Molecular Formula | C18H11ClN2O6 |
|---|---|
| Molecular Weight | 386.03 g/mol |
| LogP | 3.3506 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.03058 |
| Heavy Atoms | 27 |
| Complexity | 997.1664 |
Chemical Identifiers
| CAS Number | 439093-98-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate (CAS 439093-98-8), with molecular formula C18H11ClN2O6 and molecular weight 386.03 g/mol. IUPAC: (4-nitrophenyl)methyl N-(3-chloro-1,4-dioxonaphthalen-2-yl)carbamate.
Chemical Property Profile of 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate
Property Insights of 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate
The XLogP value of 3.3506 indicates that 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate. Following Lipinski's Rule of Five, 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)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 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate?
The CAS number of 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate is 439093-98-8.
What is the molecular formula of 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate?
The molecular formula of 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate is C18H11ClN2O6.
What is the molecular weight of 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate?
The molecular weight of 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate is 386.03 g/mol.
Where can I buy 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate?
You can request a quote for 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrobenzyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.