85548e
TL;DR: 85548e (CAS 124020-62-8) is a chemical compound with molecular formula C40H73N9O12 and molecular weight 871.53784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2S,3S)-2-[[(4S,5S)-5-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-7-methyl-2-propan-2-yloctanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
Also Known As: U85548e, 85548e, U 85548e, U-85548e, Val-ser-gln-asn-leu-CH(OH)CH2-val-ile-val
Technical Specifications
| Molecular Formula | C40H73N9O12 |
| Molecular Weight | 871.53784 g/mol |
| XLogP | -2.6 |
| Topological Polar Surface Area (TPSA) | 365.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 29 |
| Exact Mass | 871.53784 Da |
| Heavy Atoms | 61 |
| Complexity | 1510.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)NC(C(C)C)C(=O)O)NC(=O)C(C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N)O)C(C)C |
| InChIKey | BURQLNQHSQGPEJ-OGMXQXBRSA-N |
Chemical Property Profile of 85548e
Property Insights of 85548e
The XLogP value of -2.6 indicates that 85548e is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 365.0 Ų indicates high polarity, suggesting 85548e may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 85548e has 12 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 85548e?
The CAS number of 85548e is 124020-62-8.
What is the molecular formula of 85548e?
The molecular formula of 85548e is C40H73N9O12.
What is the molecular weight of 85548e?
The molecular weight of 85548e is 871.53784 g/mol.
Where can I buy 85548e?
You can request a quote for 85548e directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 85548e?
Yes, CoreyChem provides custom synthesis services for 85548e and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.