![[(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate structure](/static/products/8595/85955-77-7.webp)
[(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate
TL;DR: [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate (CAS 85955-77-7) is a chemical compound with molecular formula C30H21BrO4 and molecular weight 524.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate
Also Known As: 2,3-Fluoranthenediol, 10b-bromo-1,2,3,10b-tetrahydro-, dibenzoate, (2alpha,3beta,10bbeta)-, (2s,3s,10br)-10b-bromo-1,2,3,10b-tetrahydrofluoranthene-2,3-diyl dibenzoate, [(2S,3R,10bS)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] Benzoate, [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate, 2,3-Fluoranthenediol, 10b-bromo-1,2,3,10b-tetrahydro-, dibenzoate, (2alpha,3beta,10bbeta)-
| Molecular Formula | C30H21BrO4 |
|---|---|
| Molecular Weight | 524.06 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.0623 |
| Heavy Atoms | 35 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 85955-77-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](C2=CC=CC3=C2[C@@]1(C4=CC=CC=C34)Br)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | CFBUKFHQPDFQTA-OGXMWTIWSA-N |
Product Overview
[(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate (CAS 85955-77-7), with molecular formula C30H21BrO4 and molecular weight 524.06 g/mol. IUPAC: [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate.
Chemical Property Profile of [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate
Property Insights of [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate
The XLogP value of 6.8 indicates that [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate 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 [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate?
The CAS number of [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate is 85955-77-7.
What is the molecular formula of [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate?
The molecular formula of [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate is C30H21BrO4.
What is the molecular weight of [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate?
The molecular weight of [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate is 524.06 g/mol.
Where can I buy [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate?
You can request a quote for [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(2S,3S,10bR)-3-benzoyloxy-10b-bromo-2,3-dihydro-1H-fluoranthen-2-yl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.