索拉司托林
TL;DR: 索拉司托林 (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.
索拉司托林
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
索拉司托林 (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 索拉司托林
Property Insights of 索拉司托林
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 索拉司托林. The TPSA of 203.0 Ų indicates high polarity, suggesting 索拉司托林 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 索拉司托林 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 索拉司托林?
The CAS number of 索拉司托林 is 425637-18-9.
What is the molecular formula of 索拉司托林?
The molecular formula of 索拉司托林 is C32H57N5O9.
What is the molecular weight of 索拉司托林?
The molecular weight of 索拉司托林 is 655.42 g/mol.
Where can I buy 索拉司托林?
You can request a quote for 索拉司托林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 索拉司托林?
Yes, KEHONG BIO provides custom synthesis services for 索拉司托林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.