ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate
TL;DR: ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate (CAS 71832-76-3) is a chemical compound with molecular formula C17H12ClNO4 and molecular weight 329.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate
Also Known As: ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate, ethyl(1-chloro-9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamate, Ethyl hydrogen (1-chloro-9,10-dioxo-9,10-dihydroanthracen-2-yl)carbonimidate
| Molecular Formula | C17H12ClNO4 |
|---|---|
| Molecular Weight | 329.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.04547 |
| Heavy Atoms | 23 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 71832-76-3 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl |
| InChIKey | GYCISAJAUZYVFK-UHFFFAOYSA-N |
Product Overview
ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate (CAS 71832-76-3), with molecular formula C17H12ClNO4 and molecular weight 329.05 g/mol. IUPAC: ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate.
Chemical Property Profile of ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate
Property Insights of ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate
The XLogP value of 3.4 indicates that ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate. Following Lipinski's Rule of Five, ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate has 1 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 ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate?
The CAS number of ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate is 71832-76-3.
What is the molecular formula of ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate?
The molecular formula of ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate is C17H12ClNO4.
What is the molecular weight of ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate?
The molecular weight of ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate is 329.05 g/mol.
Where can I buy ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate?
You can request a quote for ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(1-chloro-9,10-dioxoanthracen-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.