Derpanicate
TL;DR: Derpanicate (CAS 99518-29-3) is a chemical compound with molecular formula C46H54N8O12S2 and molecular weight 974.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-4-[[3-[2-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(pyridine-3-carbonyloxy)butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxo-3-(pyridine-3-carbonyloxy)butyl] pyridine-3-carboxylate
Also Known As: Derpanicate, [(3R)-4-[[3-[2-[2-[3-[[(2S)-3,3-dimethyl-2,4-bis(pyridine-3-carbonyloxy)butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxo-3-(pyridine-3-carbonyloxy)butyl] pyridine-3-carboxylate, (5R,24S)-4,4,25,25-Tetramethyl-1,6,10,19,23-pentaoxo-5,24-bis[(pyridine-3-carbonyl)oxy]-1-(pyridin-3-yl)-2-oxa-14,15-dithia-7,11,18,22-tetraazahexacosan-26-yl pyridine-3-carboxylate, [(3S)-4-[[3-[2-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(pyridine-3-carbonyloxy)butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxo-3-(pyridine-3-carbonyloxy)butyl] pyridine-3-carboxylate
| Molecular Formula | C46H54N8O12S2 |
|---|---|
| Molecular Weight | 974.33 g/mol |
| LogP | 3.4104 |
| Topological Polar Surface Area | 273.16 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 27 |
| Exact Mass | 974.33026 |
| Heavy Atoms | 68 |
| Complexity | 2135.9392 |
Chemical Identifiers
| CAS Number | 99518-29-3 |
|---|---|
| SMILES | CC(C)(COC(=O)C1=CN=CC=C1)[C@@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4 |
Product Overview
Derpanicate (CAS 99518-29-3), with molecular formula C46H54N8O12S2 and molecular weight 974.33 g/mol. IUPAC: [(3S)-4-[[3-[2-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(pyridine-3-carbonyloxy)butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxo-3-(pyridine-3-carbonyloxy)butyl] pyridine-3-carboxylate.
Chemical Property Profile of Derpanicate
Property Insights of Derpanicate
The XLogP value of 3.4104 indicates that Derpanicate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 273.16 Ų indicates high polarity, suggesting Derpanicate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Derpanicate has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Derpanicate?
The CAS number of Derpanicate is 99518-29-3.
What is the molecular formula of Derpanicate?
The molecular formula of Derpanicate is C46H54N8O12S2.
What is the molecular weight of Derpanicate?
The molecular weight of Derpanicate is 974.33 g/mol.
Where can I buy Derpanicate?
You can request a quote for Derpanicate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Derpanicate?
Yes, KEHONG BIO provides custom synthesis services for Derpanicate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.