Tricinolone acetophenonide
TL;DR: Tricinolone acetophenonide (CAS 7332-27-6) is a chemical compound with molecular formula C29H33FO6 and molecular weight 496.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Also Known As: Tricinolone acetophenonide, NCI60_003543, (4as,4br,5s,6as,6bs,9ar,10as,10bs)-4b-fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-8-phenyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2h-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, Pregn-1,20-dione, 9-fluoro-11,21-dihydroxy-16,17-[(1-phenylethylidine)bis(oxy)]-, (11.beta.,16.alpha.)-, Pregn-1,20-dione, 9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-,cyclic 16,17-acetal with acetophenone
| Molecular Formula | C29H33FO6 |
|---|---|
| Molecular Weight | 496.23 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 496.2261 |
| Heavy Atoms | 36 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 7332-27-6 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C5=CC=CC=C5)C(=O)CO)CCC6=CC(=O)C=C[C@@]63C)F)O |
| InChIKey | HCKFPALGXKOOBK-ZPHQKVKWSA-N |
Product Overview
Tricinolone acetophenonide (CAS 7332-27-6), with molecular formula C29H33FO6 and molecular weight 496.23 g/mol. IUPAC: (1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one.
Chemical Property Profile of Tricinolone acetophenonide
Property Insights of Tricinolone acetophenonide
The XLogP value of 3.6 indicates that Tricinolone acetophenonide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Tricinolone acetophenonide. Following Lipinski's Rule of Five, Tricinolone acetophenonide has 2 hydrogen bond donor(s) and 7 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 Tricinolone acetophenonide?
The CAS number of Tricinolone acetophenonide is 7332-27-6.
What is the molecular formula of Tricinolone acetophenonide?
The molecular formula of Tricinolone acetophenonide is C29H33FO6.
What is the molecular weight of Tricinolone acetophenonide?
The molecular weight of Tricinolone acetophenonide is 496.23 g/mol.
Where can I buy Tricinolone acetophenonide?
You can request a quote for Tricinolone acetophenonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tricinolone acetophenonide?
Yes, KEHONG BIO provides custom synthesis services for Tricinolone acetophenonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.