1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol
TL;DR: 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol (CAS 55431-78-2) is a chemical compound with molecular formula C16H18O2 and molecular weight 242.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,13-tetraene-3,10-diol
Also Known As: KST-1B5586, 1,4,4a,9,9a,10-hexahydro-1,4-ethanoanthracene-9,10-diol, 9.10-Dioxy-1.4-aethylen-1.4-dihydro-anthracen
| Molecular Formula | C16H18O2 |
|---|---|
| Molecular Weight | 242.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.13068 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 55431-78-2 |
|---|---|
| SMILES | C1CC2C=CC1C3C2C(C4=CC=CC=C4C3O)O |
| InChIKey | CXKDRWRWLKDGTN-UHFFFAOYSA-N |
Product Overview
1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol (CAS 55431-78-2), with molecular formula C16H18O2 and molecular weight 242.13 g/mol. IUPAC: tetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,13-tetraene-3,10-diol.
Chemical Property Profile of 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol
Property Insights of 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol has 2 hydrogen bond donor(s) and 2 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 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol?
The CAS number of 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol is 55431-78-2.
What is the molecular formula of 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol?
The molecular formula of 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol is C16H18O2.
What is the molecular weight of 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol?
The molecular weight of 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol is 242.13 g/mol.
Where can I buy 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol?
You can request a quote for 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol?
Yes, KEHONG BIO provides custom synthesis services for 1,4,4a,9,9a,10-Hexahydro-1,4-ethanoanthracene-9,10-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.