ES 8891
TL;DR: ES 8891 (CAS 129445-88-1) is a chemical compound with molecular formula C42H60N6O6S and molecular weight 776.4295 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4S)-5-cyclohexyl-N-hexyl-3-hydroxy-4-[[(2S)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-3-naphthalen-1-ylpropanoyl]amino]-3-(1,3-thiazol-4-yl)propanoyl]amino]pentanamide
Also Known As: ES 8891, Mdl 28302, KST-1A1582, (3S,4S)-5-cyclohexyl-N-hexyl-3-hydroxy-4-[[(2S)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-3-naphthalen-1-ylpropanoyl]amino]-3-(1,3-thiazol-4-yl)propanoyl]amino]pentanamide, (3s,4s)-5-cyclohexyl-n-hexyl-3-hydroxy-4-{[(2s)-2-{[(2s)-2-[(morpholin-4-ylacetyl)amino]-3-(naphthalen-1-yl)propanoyl]amino}-3-(1,3-thiazol-4-yl)propanoyl]amino}pentanamide(non-preferred name)
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C42H60N6O6S |
| Molecular Weight | 776.4295 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 190.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Exact Mass | 776.4295 Da |
| Heavy Atoms | 55 |
| Complexity | 1190.0 |
| SMILES | CCCCCCNC(=O)C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2=CSC=N2)NC(=O)[C@H](CC3=CC=CC4=CC=CC=C43)NC(=O)CN5CCOCC5)O |
| InChIKey | SYPWPWUSXPWLKW-ZQWQDMLBSA-N |
Chemical Property Profile of ES 8891
Property Insights of ES 8891
The XLogP value of 6.4 indicates that ES 8891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.0 Ų indicates high polarity, suggesting ES 8891 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ES 8891 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ES 8891?
The CAS number of ES 8891 is 129445-88-1.
What is the molecular formula of ES 8891?
The molecular formula of ES 8891 is C42H60N6O6S.
What is the molecular weight of ES 8891?
The molecular weight of ES 8891 is 776.4295 g/mol.
Where can I buy ES 8891?
You can request a quote for ES 8891 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ES 8891?
Yes, CoreyChem provides custom synthesis services for ES 8891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.