Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)-
TL;DR: Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)- (CAS 60968-19-6) is a chemical compound with molecular formula C32H23BrO4 and molecular weight 550.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,10R,11R)-11-benzoyloxy-8-bromo-8,9,10,11-tetrahydrobenzo[a]anthracen-10-yl] benzoate
Also Known As: Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)-, (8R,10R,11R)-8-Bromo-8,9,10,11-tetrahydrotetraphene-10,11-diyl dibenzoate, [(8R,10R,11R)-11-benzoyloxy-8-bromo-8,9,10,11-tetrahydrobenzo[a]anthracen-10-yl] benzoate, Benz[a]anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8.alpha.,10.beta.,11.alpha.)-
| Molecular Formula | C32H23BrO4 |
|---|---|
| Molecular Weight | 550.08 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 550.07794 |
| Heavy Atoms | 37 |
| Complexity | 803.0 |
Chemical Identifiers
| CAS Number | 60968-19-6 |
|---|---|
| SMILES | C1[C@H]([C@@H](C2=C([C@@H]1Br)C=C3C=CC4=CC=CC=C4C3=C2)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | VPANKINJKSQSFP-IDZRBWSNSA-N |
Product Overview
Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)- (CAS 60968-19-6), with molecular formula C32H23BrO4 and molecular weight 550.08 g/mol. IUPAC: [(8R,10R,11R)-11-benzoyloxy-8-bromo-8,9,10,11-tetrahydrobenzo[a]anthracen-10-yl] benzoate.
Chemical Property Profile of Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)-
Property Insights of Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)-
The XLogP value of 8.1 indicates that Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)-?
The CAS number of Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)- is 60968-19-6.
What is the molecular formula of Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)-?
The molecular formula of Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)- is C32H23BrO4.
What is the molecular weight of Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)-?
The molecular weight of Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)- is 550.08 g/mol.
Where can I buy Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)-?
You can request a quote for Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-10,11-diol, 8-bromo-8,9,10,11-tetrahydro-, dibenzoate, (8alpha,10beta,11alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.