rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid
TL;DR: rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid (CAS 27069-21-2) is a chemical compound with molecular formula C18H14O4 and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(15R,16S)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylic acid
Also Known As: (11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid, cis-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic ac, rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid, (11S,12R)-9,10-Ethano-9,10-dihydroanthracene-11,12-dicarboxylic acid, (15R,16S)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylic acid
| Molecular Formula | C18H14O4 |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.0892 |
| Heavy Atoms | 22 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 27069-21-2 |
|---|---|
| SMILES | C1=CC=C2C3[C@H]([C@H](C(C2=C1)C4=CC=CC=C34)C(=O)O)C(=O)O |
| InChIKey | NYMGGONMSRTFKV-STONLHKKSA-N |
Product Overview
rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid (CAS 27069-21-2), with molecular formula C18H14O4 and molecular weight 294.09 g/mol. IUPAC: (15R,16S)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylic acid.
Chemical Property Profile of rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid
Property Insights of rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid. Following Lipinski's Rule of Five, rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid has 2 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 rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid?
The CAS number of rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid is 27069-21-2.
What is the molecular formula of rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid?
The molecular formula of rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid is C18H14O4.
What is the molecular weight of rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid?
The molecular weight of rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid is 294.09 g/mol.
Where can I buy rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid?
You can request a quote for rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for rel-(11R,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.