4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)-
TL;DR: 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)- (CAS 60967-92-2) is a chemical compound with molecular formula C28H21BrO4 and molecular weight 500.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S)-1-benzoyloxy-4-bromo-1,2,3,4-tetrahydroanthracen-2-yl] benzoate
Also Known As: 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)-, 4-Bromo-1,2,3,4-tetrahydroanthracene-1,2-diyl dibenzoate, 1,2-Anthracenediol, 4-bromo-1,2,3,4-tetrahydro-, dibenzoate, (1alpha,2beta,4alpha)-, (1S,2S,4S)-4-bromo-1,2,3,4-tetrahydroanthracene-1,2-diyl dibenzoate, [(1S,2S,4S)-1-benzoyloxy-4-bromo-1,2,3,4-tetrahydroanthracen-2-yl] benzoate
| Molecular Formula | C28H21BrO4 |
|---|---|
| Molecular Weight | 500.06 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.06232 |
| Heavy Atoms | 33 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 60967-92-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](C2=CC3=CC=CC=C3C=C2[C@H]1Br)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | RTFYGNICURMWRN-GSDHBNRESA-N |
Product Overview
4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)- (CAS 60967-92-2), with molecular formula C28H21BrO4 and molecular weight 500.06 g/mol. IUPAC: [(1S,2S,4S)-1-benzoyloxy-4-bromo-1,2,3,4-tetrahydroanthracen-2-yl] benzoate.
Chemical Property Profile of 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)-
Property Insights of 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)-
The XLogP value of 6.9 indicates that 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,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, 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)- 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 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)-?
The CAS number of 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)- is 60967-92-2.
What is the molecular formula of 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)-?
The molecular formula of 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)- is C28H21BrO4.
What is the molecular weight of 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)-?
The molecular weight of 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)- is 500.06 g/mol.
Where can I buy 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)-?
You can request a quote for 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.