Fluodexan
TL;DR: Fluodexan (CAS 95017-33-7) is a chemical compound with molecular formula C74H82F2N2O17 and molecular weight 1308.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4S,8S,9S,11S,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3-[[4-[2-[(4S,8S,9S,11R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]carbonyl-3-methoxynaphthalen-2-yl]methyl]-2-methoxynaphthalene-1-carboxylate;urea
Also Known As: Fluodexan, [2-[(4S,8S,9S,11R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3-[[4-[2-[(4S,8S,9S,11S,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]carbonyl-3-methoxynaphthalen-2-yl]methyl]-2-methoxynaphthalene-1-carboxylate;urea, Pregna-1,4-diene-3,20-dione, 21,21'-(methylenebis((2-methoxy-1,3-naphthalenediyl)carbonyloxy))bis(9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)-(11'beta,16'alpha)-, mixt. with urea
| Molecular Formula | C74H82F2N2O17 |
|---|---|
| Molecular Weight | 1308.56 g/mol |
| LogP | 9.8186 |
| Topological Polar Surface Area | 286.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 14 |
| Exact Mass | 1308.5581 |
| Heavy Atoms | 95 |
| Complexity | 3000.0 |
Chemical Identifiers
| CAS Number | 95017-33-7 |
|---|---|
| SMILES | C[C@]12C[C@H](C3(C(C1C[C@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)C5=C(C(=CC6=CC=CC=C65)CC7=CC8=CC=CC=C8C(=C7OC)C(=O)OCC(=O)[C@@]91[C@H](CC2[C@@]9(C[C@@H](C4(C2CCC2=CC(=O)C=C[C@@]24C)F)O)C)OC(O1)(C)C)OC)CCC1=CC(=O)C=C[C@@]13C)F)O.C(=O)(N)N |
| InChIKey | WPXPUZHOTNEMEG-AKIVQBQCSA-N |
Product Overview
Fluodexan (CAS 95017-33-7), with molecular formula C74H82F2N2O17 and molecular weight 1308.56 g/mol. IUPAC: [2-[(4S,8S,9S,11S,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3-[[4-[2-[(4S,8S,9S,11R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]carbonyl-3-methoxynaphthalen-2-yl]methyl]-2-methoxynaphthalene-1-carboxylate;urea.
Chemical Property Profile of Fluodexan
Property Insights of Fluodexan
The XLogP value of 9.8186 indicates that Fluodexan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 286.0 Ų indicates high polarity, suggesting Fluodexan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Fluodexan has 4 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fluodexan?
The CAS number of Fluodexan is 95017-33-7.
What is the molecular formula of Fluodexan?
The molecular formula of Fluodexan is C74H82F2N2O17.
What is the molecular weight of Fluodexan?
The molecular weight of Fluodexan is 1308.56 g/mol.
Where can I buy Fluodexan?
You can request a quote for Fluodexan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fluodexan?
Yes, KEHONG BIO provides custom synthesis services for Fluodexan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.