(3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate
TL;DR: (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate (CAS 728908-49-4) is a chemical compound with molecular formula C22H11Cl3N2O5 and molecular weight 487.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-chloro-9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
Also Known As: (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate, [(3-chloro-9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamoyl]methyl 2,6-dichloropyridine-4-carboxylate, [2-[(3-chloro-9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
| Molecular Formula | C22H11Cl3N2O5 |
|---|---|
| Molecular Weight | 487.97 g/mol |
| LogP | 4.6127 |
| Topological Polar Surface Area | 102.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.97336 |
| Heavy Atoms | 32 |
| Complexity | 1302.6636 |
Chemical Identifiers
| CAS Number | 728908-49-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)Cl)NC(=O)COC(=O)C4=CC(=NC(=C4)Cl)Cl |
Product Overview
(3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate (CAS 728908-49-4), with molecular formula C22H11Cl3N2O5 and molecular weight 487.97 g/mol. IUPAC: [2-[(3-chloro-9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate.
Chemical Property Profile of (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate
Property Insights of (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate
The XLogP value of 4.6127 indicates that (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate. Following Lipinski's Rule of Five, (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate 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 (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate?
The CAS number of (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate is 728908-49-4.
What is the molecular formula of (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate?
The molecular formula of (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate is C22H11Cl3N2O5.
What is the molecular weight of (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate?
The molecular weight of (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate is 487.97 g/mol.
Where can I buy (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate?
You can request a quote for (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3-chloro-9,10-dioxo-anthracen-2-yl)carbamoylmethyl 2,6-dichloropyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.