trans-1,10b(1H)-Fluoranthenediol 1-acetate
TL;DR: trans-1,10b(1H)-Fluoranthenediol 1-acetate (CAS 83291-56-9) is a chemical compound with molecular formula C18H14O3 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,10bS)-10b-hydroxy-1H-fluoranthen-1-yl] acetate
Also Known As: trans-1,10b(1H)-Fluoranthenediol 1-acetate, 10b-Hydroxy-1,10b-dihydrofluoranthen-1-yl acetate, 1,10b(1H)-Fluoranthenediol, 1-acetate, trans-, [(1S,10bS)-10b-hydroxy-1H-fluoranthen-1-yl] acetate, (1S,10bS)-10b-Hydroxy-1,10b-dihydrofluoranthen-1-yl acetate
| Molecular Formula | C18H14O3 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.0943 |
| Heavy Atoms | 21 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 83291-56-9 |
|---|---|
| SMILES | CC(=O)O[C@H]1C=CC2=C3[C@]1(C4=CC=CC=C4C3=CC=C2)O |
| InChIKey | MOWQJVXORJVVHK-FUHWJXTLSA-N |
Product Overview
trans-1,10b(1H)-Fluoranthenediol 1-acetate (CAS 83291-56-9), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: [(1S,10bS)-10b-hydroxy-1H-fluoranthen-1-yl] acetate.
Chemical Property Profile of trans-1,10b(1H)-Fluoranthenediol 1-acetate
Property Insights of trans-1,10b(1H)-Fluoranthenediol 1-acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-1,10b(1H)-Fluoranthenediol 1-acetate. With a topological polar surface area (TPSA) of 46.5 Ų, trans-1,10b(1H)-Fluoranthenediol 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-1,10b(1H)-Fluoranthenediol 1-acetate has 1 hydrogen bond donor(s) and 3 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 trans-1,10b(1H)-Fluoranthenediol 1-acetate?
The CAS number of trans-1,10b(1H)-Fluoranthenediol 1-acetate is 83291-56-9.
What is the molecular formula of trans-1,10b(1H)-Fluoranthenediol 1-acetate?
The molecular formula of trans-1,10b(1H)-Fluoranthenediol 1-acetate is C18H14O3.
What is the molecular weight of trans-1,10b(1H)-Fluoranthenediol 1-acetate?
The molecular weight of trans-1,10b(1H)-Fluoranthenediol 1-acetate is 278.09 g/mol.
Where can I buy trans-1,10b(1H)-Fluoranthenediol 1-acetate?
You can request a quote for trans-1,10b(1H)-Fluoranthenediol 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1,10b(1H)-Fluoranthenediol 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for trans-1,10b(1H)-Fluoranthenediol 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.