Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)-
TL;DR: Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)- (CAS 80433-92-7) is a chemical compound with molecular formula C22H18O4 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4R)-4-acetyloxy-3,4-dihydrobenzo[a]anthracen-3-yl] acetate
Also Known As: (3R,4R)-3,4-dihydrotetraphene-3,4-diyl diacetate, Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)-, 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans-, (-)-trans-(3R,4R)-3,4-diacetoxy-3,4-dihydrobenz[a]anthracene, [(3R,4R)-4-acetyloxy-3,4-dihydrobenzo[a]anthracen-3-yl] acetate
| Molecular Formula | C22H18O4 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.1205 |
| Heavy Atoms | 26 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 80433-92-7 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C=CC2=C([C@H]1OC(=O)C)C=CC3=CC4=CC=CC=C4C=C32 |
| InChIKey | XPKGWMVQOJZDTF-FGZHOGPDSA-N |
Product Overview
Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)- (CAS 80433-92-7), with molecular formula C22H18O4 and molecular weight 346.12 g/mol. IUPAC: [(3R,4R)-4-acetyloxy-3,4-dihydrobenzo[a]anthracen-3-yl] acetate.
Chemical Property Profile of Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)-
Property Insights of Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)-
The XLogP value of 4.2 indicates that Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)- 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, 3,4-dihydro-, diacetate, (3R-trans)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)- 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, 3,4-dihydro-, diacetate, (3R-trans)-?
The CAS number of Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)- is 80433-92-7.
What is the molecular formula of Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)-?
The molecular formula of Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)- is C22H18O4.
What is the molecular weight of Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)-?
The molecular weight of Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)- is 346.12 g/mol.
Where can I buy Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)-?
You can request a quote for Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)- 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, 3,4-dihydro-, diacetate, (3R-trans)-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, (3R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.