FR 901459
TL;DR: FR 901459 (CAS 153049-50-4) is a chemical compound with molecular formula C62H111N11O13 and molecular weight 1217.8363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S)-1-[[(E,3S)-4-[(2S,3R)-2-amino-3-hydroxybutanoyl]-4-[(5S)-3-[(2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-7-methyl-2-[(2S)-3-methyl-2-(methylamino)butanoyl]-5-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]-4-oxooct-7-en-2-yl]-3-formyl-7-hydroxy-8-methyl-1,6-bis(methylamino)-2,5-dioxododec-10-en-3-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]-4-methyl-2-(methylamino)pentanamide
Also Known As: FR 901459, Cyclosporin A, 4-L-leucine-7-L-threonine-10-L-leucine-, (2S)-N-[(2S)-1-[[(E,3S)-4-[(2S,3R)-2-amino-3-hydroxybutanoyl]-4-[(3S,8S)-6-[(2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]-2,5,10-trimethyl-3-(methylamino)-8-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]-4,7-dioxoundec-10-en-5-yl]-3-formyl-7-hydroxy-8-methyl-1,6-bis(methylamino)-2,5-dioxododec-10-en-3-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]-4-methyl-2-(methylamino)pentanamide
Technical Specifications
| Molecular Formula | C62H111N11O13 |
| Molecular Weight | 1217.8363 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 380.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 43 |
| Exact Mass | 1217.8363 Da |
| Heavy Atoms | 86 |
| Complexity | 2380.0 |
| SMILES | C/C=C/CC(C)C(C(C(=O)C(C(=O)[C@H]([C@@H](C)O)N)([C@](C=O)(C(=O)CNC)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC)C(C)(C(C(=O)[C@@H](C)NC(=O)[C@H](C)N)C(=O)[C@H](CC(=C)C)NC(=O)[C@H](CC(C)C)NC)C(=O)[C@H](C(C)C)NC)NC)O |
| InChIKey | AABGNJDJKXZYRE-YOIDXIJTSA-N |
Chemical Property Profile of FR 901459
Property Insights of FR 901459
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for FR 901459. The TPSA of 380.0 Ų indicates high polarity, suggesting FR 901459 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, FR 901459 has 12 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of FR 901459?
The CAS number of FR 901459 is 153049-50-4.
What is the molecular formula of FR 901459?
The molecular formula of FR 901459 is C62H111N11O13.
What is the molecular weight of FR 901459?
The molecular weight of FR 901459 is 1217.8363 g/mol.
Where can I buy FR 901459?
You can request a quote for FR 901459 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for FR 901459?
Yes, CoreyChem provides custom synthesis services for FR 901459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.