Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate
TL;DR: Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate (CAS 78995-72-9) 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-[(1S,2S,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] 3-benzamido-2-methylpropanoate
Also Known As: TBI-PAB, Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate, Triamcinolone-16,17-(p-dimethylamino benzylidene)-21-(beta-benzoylamino)isobutyrate, Pregna-1,4-diene-3,20-dione, 21-(3-(benzoylamino)-2-methyl-1-oxopropoxy)-16,17-(((4-(dimethylamino)phenyl)methylene)bis(oxy))-9-fluoro-11-hydroxy-, (11beta,16alpha)-
| Molecular Formula | C41H47FN2O8 |
|---|---|
| Molecular Weight | 714.33 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 714.33167 |
| Heavy Atoms | 52 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 78995-72-9 |
|---|---|
| SMILES | CC(CNC(=O)C1=CC=CC=C1)C(=O)OCC(=O)[C@@]23[C@H](C[C@@H]4[C@@]2(C[C@@H](C5([C@H]4CCC6=CC(=O)C=C[C@@]65C)F)O)C)OC(O3)C7=CC=C(C=C7)N(C)C |
| InChIKey | NHLSSOMFJSWGTD-ZZXDHGFDSA-N |
Product Overview
Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate (CAS 78995-72-9), with molecular formula C41H47FN2O8 and molecular weight 714.33 g/mol. IUPAC: [2-[(1S,2S,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] 3-benzamido-2-methylpropanoate.
Chemical Property Profile of Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate
Property Insights of Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate
The XLogP value of 5.6 indicates that Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate 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 Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate. Following Lipinski's Rule of Five, Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate 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 Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate?
The CAS number of Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate is 78995-72-9.
What is the molecular formula of Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate?
The molecular formula of Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate is C41H47FN2O8.
What is the molecular weight of Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate?
The molecular weight of Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate is 714.33 g/mol.
Where can I buy Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate?
You can request a quote for Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Triamcinolone acetonide-21-(beta-benzoylamino)isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.