2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate
TL;DR: 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate (CAS 83291-43-4) is a chemical compound with molecular formula C30H22O4 and molecular weight 446.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,10bS)-3-benzoyloxy-1,2,3,10b-tetrahydrofluoranthen-2-yl] benzoate
Also Known As: 3,6-dihydro-6-pentyl-2H-pyran-2-one, 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate, 1,2,3,10b-tetrahydrofluoranthene-2,3-diyl dibenzoate, (2s,3s,10bs)-1,2,3,10b-tetrahydrofluoranthene-2,3-diyl dibenzoate, 2,3-Fluoranthenediol, 1,2,3,10b-tetrahydro-, dibenzoate, (2alpha,3beta,10bbeta)-
| Molecular Formula | C30H22O4 |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.1518 |
| Heavy Atoms | 34 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 83291-43-4 |
|---|---|
| SMILES | C1[C@@H]([C@H](C2=CC=CC3=C2[C@@H]1C4=CC=CC=C34)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | KIAZRXPXLKZNPS-NSVAZKTRSA-N |
Product Overview
2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate (CAS 83291-43-4), with molecular formula C30H22O4 and molecular weight 446.15 g/mol. IUPAC: [(2S,3S,10bS)-3-benzoyloxy-1,2,3,10b-tetrahydrofluoranthen-2-yl] benzoate.
Chemical Property Profile of 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate
Property Insights of 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate
The XLogP value of 6.5 indicates that 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate 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 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate?
The CAS number of 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate is 83291-43-4.
What is the molecular formula of 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate?
The molecular formula of 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate is C30H22O4.
What is the molecular weight of 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate?
The molecular weight of 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate is 446.15 g/mol.
Where can I buy 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate?
You can request a quote for 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2alpha,3beta,10bbeta-Tetrahydro-2,3-fluoranthenediol dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.