triamcinolone benetonide
TL;DR: triamcinolone benetonide (CAS 31002-79-6) is a chemical compound with molecular formula C35H42FNO8 and molecular weight 623.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(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-benzamido-2-methylpropanoate
Also Known As: triamcinolone benetonide, 2-(4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bh-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl 3-(benzoylamino)-2-methylpropanoate
| Molecular Formula | C35H42FNO8 |
|---|---|
| Molecular Weight | 623.29 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 623.2894 |
| Heavy Atoms | 45 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 31002-79-6 |
|---|---|
| SMILES | CC(CNC(=O)C1=CC=CC=C1)C(=O)OCC(=O)C23C(CC4C2(CC(C5(C4CCC6=CC(=O)C=CC65C)F)O)C)OC(O3)(C)C |
| InChIKey | GUYPYYARYIIWJZ-UHFFFAOYSA-N |
Product Overview
triamcinolone benetonide (CAS 31002-79-6), with molecular formula C35H42FNO8 and molecular weight 623.29 g/mol. IUPAC: [2-(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-benzamido-2-methylpropanoate.
Chemical Property Profile of triamcinolone benetonide
Property Insights of triamcinolone benetonide
The XLogP value of 4.6 indicates that triamcinolone benetonide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for triamcinolone benetonide. Following Lipinski's Rule of Five, triamcinolone benetonide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of triamcinolone benetonide?
The CAS number of triamcinolone benetonide is 31002-79-6.
What is the molecular formula of triamcinolone benetonide?
The molecular formula of triamcinolone benetonide is C35H42FNO8.
What is the molecular weight of triamcinolone benetonide?
The molecular weight of triamcinolone benetonide is 623.29 g/mol.
Where can I buy triamcinolone benetonide?
You can request a quote for triamcinolone benetonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for triamcinolone benetonide?
Yes, KEHONG BIO provides custom synthesis services for triamcinolone benetonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.