![12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid structure](/static/products/891/89126-78-3.png)
12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid
TL;DR: 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid (CAS 89126-78-3) is a chemical compound with molecular formula C22H21NO5 and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-[(2-ethoxy-2-oxoethyl)carbamoyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
Also Known As: 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid, 12-{[(2-Ethoxy-2-oxoethyl)imino](hydroxy)methyl}-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid, 16-[(2-Ethoxy-2-oxoethyl)carbamoyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
| Molecular Formula | C22H21NO5 |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.14197 |
| Heavy Atoms | 28 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 89126-78-3 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)C1C(C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)O |
| InChIKey | UWMSOODXOVNKJU-UHFFFAOYSA-N |
Product Overview
12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid (CAS 89126-78-3), with molecular formula C22H21NO5 and molecular weight 379.14 g/mol. IUPAC: 16-[(2-ethoxy-2-oxoethyl)carbamoyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid.
Chemical Property Profile of 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid
Property Insights of 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid. Following Lipinski's Rule of Five, 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid has 2 hydrogen bond donor(s) and 5 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 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid?
The CAS number of 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid is 89126-78-3.
What is the molecular formula of 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid?
The molecular formula of 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid is C22H21NO5.
What is the molecular weight of 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid?
The molecular weight of 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid is 379.14 g/mol.
Where can I buy 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid?
You can request a quote for 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 12-[(2-ethoxy-2-oxoethyl)carbamoyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.