FR 901459
TL;DR: FR 901459 (CAS 155144-72-2) is a chemical compound with molecular formula C62H111N11O13 and molecular weight 1217.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-[(1R)-1-hydroxyethyl]-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,10,12,15,19,25,28-octamethyl-6,9,18,21,24-pentakis(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Also Known As: Cyclosporin AM 3, 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, (3R,4R)-3-Hydroxy-N-methyl-5-[(E)-1-propenyl]cyclo(L-Leu-L-Thr-Sar-N-methyl-L-Leu-L-Leu-N-methyl-L-Leu-L-Ala-D-Ala-N-methyl-L-Leu-L-Leu-N-methyl-L-Val-)
| Molecular Formula | C62H111N11O13 |
|---|---|
| Molecular Weight | 1217.84 g/mol |
| LogP | 2.2877 |
| Topological Polar Surface Area | 307.82 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 1217.8363 |
| Heavy Atoms | 86 |
| Complexity | 2343.3337 |
Chemical Identifiers
| CAS Number | 155144-72-2 |
|---|---|
| SMILES | C/C=C/C[C@@H](C)[C@H]([C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)CC(C)C)C)C)C)CC(C)C)C)CC(C)C)CC(C)C)C)C)[C@@H](C)O)O |
Product Overview
FR 901459 (CAS 155144-72-2), with molecular formula C62H111N11O13 and molecular weight 1217.84 g/mol. IUPAC: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-[(1R)-1-hydroxyethyl]-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,10,12,15,19,25,28-octamethyl-6,9,18,21,24-pentakis(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.
Chemical Property Profile of FR 901459
Property Insights of FR 901459
The XLogP value of 2.2877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for FR 901459. The TPSA of 307.82 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 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of FR 901459?
The CAS number of FR 901459 is 155144-72-2.
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 1217.84 g/mol.
Where can I buy FR 901459?
You can request a quote for FR 901459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FR 901459?
Yes, KEHONG BIO provides custom synthesis services for FR 901459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.