C22H19BrO4
TL;DR: C22H19BrO4 (CAS 60968-06-1) 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.
[(1S,2S,4S)-1-acetyloxy-4-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-2-yl] acetate
Also Known As: Benz(a)anthracene-1,2-diol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)-, 4-Bromo-1,2,3,4-tetrahydrotetraphene-1,2-diyl diacetate, (1S,2S,4S)-4-bromo-1,2,3,4-tetrahydrotetraphene-1,2-diyl diacetate, [(1S,2S,4S)-1-acetyloxy-4-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-2-yl] acetate
| 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 | 60968-06-1 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H](C2=C([C@@H]1OC(=O)C)C3=CC4=CC=CC=C4C=C3C=C2)Br |
| InChIKey | SETJHQUILZLWPY-JAXLGGSGSA-N |
Product Overview
C22H19BrO4 (CAS 60968-06-1), with molecular formula C22H19BrO4 and molecular weight 426.05 g/mol. IUPAC: [(1S,2S,4S)-1-acetyloxy-4-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-2-yl] acetate.
Chemical Property Profile of C22H19BrO4
Property Insights of C22H19BrO4
The XLogP value of 4.6 indicates that C22H19BrO4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, C22H19BrO4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H19BrO4 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 C22H19BrO4?
The CAS number of C22H19BrO4 is 60968-06-1.
What is the molecular formula of C22H19BrO4?
The molecular formula of C22H19BrO4 is C22H19BrO4.
What is the molecular weight of C22H19BrO4?
The molecular weight of C22H19BrO4 is 426.05 g/mol.
Where can I buy C22H19BrO4?
You can request a quote for C22H19BrO4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H19BrO4?
Yes, KEHONG BIO provides custom synthesis services for C22H19BrO4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.