索特拉司他
TL;DR: 索特拉司他 (CAS 425637-18-9) is a chemical compound with molecular formula C32H57N5O9 and molecular weight 655.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
索特拉司他
2-[[2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[1-[[1-[5-formyl-2-hydroxy-3-(hydroxymethyl)-3,6-dimethylmorpholin-2-yl]-3-methylbutyl]amino]-1,3-dioxobutan-2-yl]-3-methylpentanamide
Also Known As: Sotrastaurin, 3-(1H-Indol-3-yl)-4-(2-(4-methylpiperazin-1-yl)quinazolin-4-yl)-1H-pyrrole-2,5-dione, 2-[[2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[1-[[1-[5-formyl-2-hydroxy-3-(hydroxymethyl)-3,6-dimethylmorpholin-2-yl]-3-methylbutyl]amino]-1,3-dioxobutan-2-yl]-3-methylpentanamide
| Molecular Formula | C32H57N5O9 |
|---|---|
| Molecular Weight | 655.42 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 655.41565 |
| Heavy Atoms | 46 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 425637-18-9 |
|---|---|
| SMILES | CCC(C)C(C(=O)NC(C(=O)C)C(=O)NC(CC(C)C)C1(C(NC(C(O1)C)C=O)(C)CO)O)NC(=O)C(C(C)CC)N(C)C(=O)C |
| InChIKey | NDFLCTSMIHPKET-UHFFFAOYSA-N |
Product Overview
索特拉司他 (CAS 425637-18-9), with molecular formula C32H57N5O9 and molecular weight 655.42 g/mol. IUPAC: 2-[[2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[1-[[1-[5-formyl-2-hydroxy-3-(hydroxymethyl)-3,6-dimethylmorpholin-2-yl]-3-methylbutyl]amino]-1,3-dioxobutan-2-yl]-3-methylpentanamide.
Chemical Property Profile of 索特拉司他
Property Insights of 索特拉司他
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 索特拉司他. The TPSA of 203.0 Ų indicates high polarity, suggesting 索特拉司他 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sotrastaurin has 6 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 Sotrastaurin?
The CAS number of Sotrastaurin is 425637-18-9.
What is the molecular formula of Sotrastaurin?
The molecular formula of Sotrastaurin is C32H57N5O9.
What is the molecular weight of Sotrastaurin?
The molecular weight of Sotrastaurin is 655.42 g/mol.
Where can I buy Sotrastaurin?
You can request a quote for Sotrastaurin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sotrastaurin?
Yes, KEHONG BIO provides custom synthesis services for Sotrastaurin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.