Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)-
TL;DR: Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)- (CAS 60968-12-9) is a chemical compound with molecular formula C22H19BrO4 and molecular weight 426.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3R,4R)-4-acetyloxy-1-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-3-yl] acetate
Also Known As: Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)-, 1-bromo-1,2,3,4-tetrahydrotetraphene-3,4-diyl diacetate, (1R,3R,4R)-1-bromo-1,2,3,4-tetrahydrotetraphene-3,4-diyl diacetate, [(1R,3R,4R)-4-acetyloxy-1-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-3-yl] acetate, Benz[a]anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1.alpha.,3.beta.,4.alpha.)-
| Molecular Formula | C22H19BrO4 |
|---|---|
| Molecular Weight | 426.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.04666 |
| Heavy Atoms | 27 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 60968-12-9 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@H](C2=C([C@H]1OC(=O)C)C=CC3=CC4=CC=CC=C4C=C32)Br |
| InChIKey | UVOQAGPPNJETDR-KCZVDYSFSA-N |
Product Overview
Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)- (CAS 60968-12-9), with molecular formula C22H19BrO4 and molecular weight 426.05 g/mol. IUPAC: [(1R,3R,4R)-4-acetyloxy-1-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-3-yl] acetate.
Chemical Property Profile of Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)-
Property Insights of Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)-
The XLogP value of 4.6 indicates that Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)- 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-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)- has 0 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 Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)-?
The CAS number of Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)- is 60968-12-9.
What is the molecular formula of Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)-?
The molecular formula of Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)- is C22H19BrO4.
What is the molecular weight of Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)-?
The molecular weight of Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)- is 426.05 g/mol.
Where can I buy Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)-?
You can request a quote for Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)- 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-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-3,4-diol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3beta,4alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.