![[3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate structure](/static/products/896/89676-56-2.png)
[3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate
TL;DR: [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate (CAS 89676-56-2) is a chemical compound with molecular formula C18H18Cl2N2O6 and molecular weight 428.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate
Also Known As: [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate|[3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-y|(1,4-Dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) bis[(2-chloroethyl)carbamate]|Carbamic acid, (1,4-dihydro-1,4-dioxo-2,3-naphthalenediyl)bis(methylene)ester
| Molecular Formula | C18H18Cl2N2O6 |
|---|---|
| Molecular Weight | 428.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 428.0542 |
| Heavy Atoms | 28 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 89676-56-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)COC(=O)NCCCl)COC(=O)NCCCl |
| InChIKey | SKPMACNENJPTHW-UHFFFAOYSA-N |
Product Overview
[3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate (CAS 89676-56-2), with molecular formula C18H18Cl2N2O6 and molecular weight 428.05 g/mol. IUPAC: [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate.
Chemical Property Profile of [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate
Property Insights of [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate. Following Lipinski's Rule of Five, [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate has 2 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 [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate?
The CAS number of [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate is 89676-56-2.
What is the molecular formula of [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate?
The molecular formula of [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate is C18H18Cl2N2O6.
What is the molecular weight of [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate?
The molecular weight of [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate is 428.05 g/mol.
Where can I buy [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate?
You can request a quote for [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for [3-(2-chloroethylcarbamoyloxymethyl)-1,4-dioxonaphthalen-2-yl]methyl N-(2-chloroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.