3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans-
TL;DR: 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans- (CAS 80433-93-8) 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.
[(3S,4S)-4-acetyloxy-3,4-dihydrobenzo[a]anthracen-3-yl] acetate
Also Known As: 3,4-Dihydrotetraphene-3,4-diyl diacetate, 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans-, (3S,4S)-3,4-Dihydrotetraphene-3,4-diyl diacetate, Benz(a)anthracene-3,4-diol, 3,4-dihydro-, diacetate, trans-, ((3S,4S)-3-Acetyloxy-3,4-dihydrobenzo(a)anthracen-4-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 | 80433-93-8 |
|---|---|
| SMILES | CC(=O)O[C@H]1C=CC2=C([C@@H]1OC(=O)C)C=CC3=CC4=CC=CC=C4C=C32 |
| InChIKey | XPKGWMVQOJZDTF-VXKWHMMOSA-N |
Product Overview
3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans- (CAS 80433-93-8), with molecular formula C22H18O4 and molecular weight 346.12 g/mol. IUPAC: [(3S,4S)-4-acetyloxy-3,4-dihydrobenzo[a]anthracen-3-yl] acetate.
Chemical Property Profile of 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans-
Property Insights of 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans-
The XLogP value of 4.2 indicates that 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, 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, 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, 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 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans-?
The CAS number of 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans- is 80433-93-8.
What is the molecular formula of 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans-?
The molecular formula of 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans- is C22H18O4.
What is the molecular weight of 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans-?
The molecular weight of 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans- is 346.12 g/mol.
Where can I buy 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans-?
You can request a quote for 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans-?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydrobenz(a)anthracene-3,4-diol diacetate, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.