1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans-
TL;DR: 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans- (CAS 60967-91-1) is a chemical compound with molecular formula C28H22O4 and molecular weight 422.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R)-1-benzoyloxy-1,2,3,4-tetrahydroanthracen-2-yl] benzoate
Also Known As: 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans-, 1,2-Anthracenediol, 1,2,3,4-tetrahydro-, dibenzoate, trans-, 1,2,3,4-Tetrahydroanthracene-1,2-diyl dibenzoate, (1R,2R)-1,2,3,4-tetrahydroanthracene-1,2-diyl dibenzoate, [(1R,2R)-1-benzoyloxy-1,2,3,4-tetrahydroanthracen-2-yl] benzoate
| Molecular Formula | C28H22O4 |
|---|---|
| Molecular Weight | 422.15 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.1518 |
| Heavy Atoms | 32 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 60967-91-1 |
|---|---|
| SMILES | C1CC2=CC3=CC=CC=C3C=C2[C@H]([C@@H]1OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | LFLNOUPTOOHTMK-CLJLJLNGSA-N |
Product Overview
1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans- (CAS 60967-91-1), with molecular formula C28H22O4 and molecular weight 422.15 g/mol. IUPAC: [(1R,2R)-1-benzoyloxy-1,2,3,4-tetrahydroanthracen-2-yl] benzoate.
Chemical Property Profile of 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans-
Property Insights of 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans-
The XLogP value of 6.6 indicates that 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, 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, 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans- 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 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans-?
The CAS number of 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans- is 60967-91-1.
What is the molecular formula of 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans-?
The molecular formula of 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans- is C28H22O4.
What is the molecular weight of 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans-?
The molecular weight of 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans- is 422.15 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans-?
You can request a quote for 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-1,2-anthracenediol dibenzoate, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.