Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, trans-
TL;DR: Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, trans- (CAS 60968-09-4) is a chemical compound with molecular formula C32H24O4 and molecular weight 472.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4S)-4-benzoyloxy-1,2,3,4-tetrahydrobenzo[a]anthracen-3-yl] benzoate
Also Known As: Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, trans-, (3S,4S)-1,2,3,4-Tetrahydrotetraphene-3,4-diyl dibenzoate, [(3S,4S)-4-benzoyloxy-1,2,3,4-tetrahydrobenzo[a]anthracen-3-yl] benzoate, Benz[a]anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenozate, trans-
| Molecular Formula | C32H24O4 |
|---|---|
| Molecular Weight | 472.17 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.16745 |
| Heavy Atoms | 36 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 60968-09-4 |
|---|---|
| SMILES | C1CC2=C(C=CC3=CC4=CC=CC=C4C=C23)[C@@H]([C@H]1OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | XESLQACFUXWXLZ-KYJUHHDHSA-N |
Product Overview
Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, trans- (CAS 60968-09-4), with molecular formula C32H24O4 and molecular weight 472.17 g/mol. IUPAC: [(3S,4S)-4-benzoyloxy-1,2,3,4-tetrahydrobenzo[a]anthracen-3-yl] benzoate.
Chemical Property Profile of Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, trans-
Property Insights of Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, trans-
The XLogP value of 7.5 indicates that Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, 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, Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, 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 Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, trans-?
The CAS number of Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, trans- is 60968-09-4.
What is the molecular formula of Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, trans-?
The molecular formula of Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, trans- is C32H24O4.
What is the molecular weight of Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, trans-?
The molecular weight of Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, trans- is 472.17 g/mol.
Where can I buy Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, trans-?
You can request a quote for Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, 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, 1,2,3,4-tetrahydro-, dibenzoate, trans-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-, dibenzoate, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.