16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate
TL;DR: 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate (CAS 6334-92-5) is a chemical compound with molecular formula C41H47FN2O8 and molecular weight 714.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4S,8S,9S,11S,13S)-6-[4-(dimethylamino)phenyl]-12-fluoro-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 2-benzamido-2-methylpropanoate
Also Known As: Sid 768828, 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate, 2-{(4as,5s,6as,6bs,9as)-8-[4-(dimethylamino)phenyl]-4b-fluoro-5-hydroxy-4a,6a-dimethyl-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 n-benzoyl-2-methylalaninate, 16,17-(4-Dimethylaminobenzylidene)triamcinolone-21beta-benzoylaminoisobutyrate, N-[1-(2-{(4aS,5S,6aS,6bS,9aS)-8-[4-(Dimethylamino)phenyl]-4b-fluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl}-2-oxoethoxy)-2-methyl-1-oxopropan-2-yl]benzenecarboximidic acid
| Molecular Formula | C41H47FN2O8 |
|---|---|
| Molecular Weight | 714.33 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 714.33167 |
| Heavy Atoms | 52 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 6334-92-5 |
|---|---|
| SMILES | C[C@]12C[C@@H](C3(C(C1C[C@H]4[C@]2(OC(O4)C5=CC=C(C=C5)N(C)C)C(=O)COC(=O)C(C)(C)NC(=O)C6=CC=CC=C6)CCC7=CC(=O)C=C[C@@]73C)F)O |
| InChIKey | YFFLWHIVOISIMF-ADFVGWLESA-N |
Product Overview
16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate (CAS 6334-92-5), with molecular formula C41H47FN2O8 and molecular weight 714.33 g/mol. IUPAC: [2-[(4S,8S,9S,11S,13S)-6-[4-(dimethylamino)phenyl]-12-fluoro-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 2-benzamido-2-methylpropanoate.
Chemical Property Profile of 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate
Property Insights of 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate
The XLogP value of 5.7 indicates that 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate. Following Lipinski's Rule of Five, 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate?
The CAS number of 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate is 6334-92-5.
What is the molecular formula of 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate?
The molecular formula of 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate is C41H47FN2O8.
What is the molecular weight of 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate?
The molecular weight of 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate is 714.33 g/mol.
Where can I buy 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate?
You can request a quote for 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.