(9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-carboxylate
TL;DR: (9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-carboxylate (CAS 503148-26-3) is a chemical compound with molecular formula C21H12BrNO6 and molecular weight 452.98 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] 5-bromofuran-2-carboxylate
Also Known As: (9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-carboxylate, 2-Furancarboxylic acid, 5-bromo-, 2-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl ester, [2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate, 2-[(9,10-Dioxo-9,10-dihydroanthracen-1-yl)amino]-2-oxoethyl 5-bromofuran-2-carboxylate
| Molecular Formula | C21H12BrNO6 |
|---|---|
| Molecular Weight | 452.98 g/mol |
| LogP | 3.613 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.9848 |
| Heavy Atoms | 29 |
| Complexity | 1179.4193 |
Chemical Identifiers
| CAS Number | 503148-26-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)COC(=O)C4=CC=C(O4)Br |
Product Overview
(9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-carboxylate (CAS 503148-26-3), with molecular formula C21H12BrNO6 and molecular weight 452.98 g/mol. IUPAC: [2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate.
Chemical Property Profile of (9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-carboxylate
Property Insights of (9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-carboxylate
The XLogP value of 3.613 indicates that (9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-carboxylate. Following Lipinski's Rule of Five, (9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-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 5-bromofuran-2-carboxylate?
The CAS number of (9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-carboxylate is 503148-26-3.
What is the molecular formula of (9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-carboxylate?
The molecular formula of (9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-carboxylate is C21H12BrNO6.
What is the molecular weight of (9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-carboxylate?
The molecular weight of (9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-carboxylate is 452.98 g/mol.
Where can I buy (9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-carboxylate?
You can request a quote for (9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-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 5-bromofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (9,10-dioxoanthracen-1-yl)carbamoylmethyl 5-bromofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.