1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans-
TL;DR: 1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans- (CAS 60967-95-5) 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.
[(3S,4S)-4-benzoyloxy-1,2,3,4-tetrahydrophenanthren-3-yl] benzoate
Also Known As: 1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans-, 1,2,3,4-Tetrahydrophenanthrene-3,4-diyl dibenzoate, 3,4-Phenanthrenediol, 1,2,3,4-tetrahydro-, dibenzoate, trans-, (3S,4S)-1,2,3,4-tetrahydrophenanthrene-3,4-diyl dibenzoate, [(3S,4S)-4-benzoyloxy-1,2,3,4-tetrahydrophenanthren-3-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 | 60967-95-5 |
|---|---|
| SMILES | C1CC2=C([C@@H]([C@H]1OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5C=C2 |
| InChIKey | QNYNODPYECYXEB-AZGAKELHSA-N |
Product Overview
1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans- (CAS 60967-95-5), with molecular formula C28H22O4 and molecular weight 422.15 g/mol. IUPAC: [(3S,4S)-4-benzoyloxy-1,2,3,4-tetrahydrophenanthren-3-yl] benzoate.
Chemical Property Profile of 1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans-
Property Insights of 1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans-
The XLogP value of 6.6 indicates that 1,2,3,4-Tetrahydro-3,4-phenanthrenediol 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-3,4-phenanthrenediol dibenzoate, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-3,4-phenanthrenediol 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-3,4-phenanthrenediol dibenzoate, trans-?
The CAS number of 1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans- is 60967-95-5.
What is the molecular formula of 1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans-?
The molecular formula of 1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans- is C28H22O4.
What is the molecular weight of 1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans-?
The molecular weight of 1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans- is 422.15 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans-?
You can request a quote for 1,2,3,4-Tetrahydro-3,4-phenanthrenediol 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-3,4-phenanthrenediol dibenzoate, trans-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-3,4-phenanthrenediol dibenzoate, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.