(9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate
TL;DR: (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate (CAS 380564-85-2) is a chemical compound with molecular formula C22H13ClN2O5 and molecular weight 420.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
Also Known As: (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate, [(9,10-dioxo-9,10-dihydroanthracen-1-yl)carbamoyl]methyl 6-chloropyridine-3-carboxylate, [2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
| Molecular Formula | C22H13ClN2O5 |
|---|---|
| Molecular Weight | 420.05 g/mol |
| LogP | 3.3059 |
| Topological Polar Surface Area | 102.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.0513 |
| Heavy Atoms | 30 |
| Complexity | 1204.4047 |
Chemical Identifiers
| CAS Number | 380564-85-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)COC(=O)C4=CN=C(C=C4)Cl |
Product Overview
(9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate (CAS 380564-85-2), with molecular formula C22H13ClN2O5 and molecular weight 420.05 g/mol. IUPAC: [2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate.
Chemical Property Profile of (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate
Property Insights of (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate
The XLogP value of 3.3059 indicates that (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-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 (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-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 (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate?
The CAS number of (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate is 380564-85-2.
What is the molecular formula of (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate?
The molecular formula of (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate is C22H13ClN2O5.
What is the molecular weight of (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate?
The molecular weight of (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate is 420.05 g/mol.
Where can I buy (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate?
You can request a quote for (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (9,10-dioxoanthracen-1-yl)carbamoylmethyl 6-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.