Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)-
TL;DR: Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)- (CAS 166733-03-5) is a chemical compound with molecular formula C59H107N11O12 and molecular weight 1161.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R)-1-hydroxy-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(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: (D-MeVal(11), L-MeLeu(3-OH)1)CsA, [D-MeVal(11), L-MeLeu(3-OH)1]CsA, Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)-, [MeLeu(3-OH)1]-CsA, D-MeVal11 Derivative, Cyclosporin A,5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)- (9CI)
| Molecular Formula | C59H107N11O12 |
|---|---|
| Molecular Weight | 1161.81 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 279.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 1161.81 |
| Heavy Atoms | 82 |
| Complexity | 2220.0 |
Chemical Identifiers
| CAS Number | 166733-03-5 |
|---|---|
| SMILES | CC[C@H]1C(=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)N([C@H](C(=O)N1)[C@@H](C(C)C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
| InChIKey | ZWSDLBLNECTKMP-JZEAWIMVSA-N |
Product Overview
Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)- (CAS 166733-03-5), with molecular formula C59H107N11O12 and molecular weight 1161.81 g/mol. IUPAC: (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R)-1-hydroxy-2-methylpropyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(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 Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)-
Property Insights of Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)-
The XLogP value of 6.7 indicates that Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 279.0 Ų indicates high polarity, suggesting Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)- has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)-?
The CAS number of Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)- is 166733-03-5.
What is the molecular formula of Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)-?
The molecular formula of Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)- is C59H107N11O12.
What is the molecular weight of Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)-?
The molecular weight of Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)- is 1161.81 g/mol.
Where can I buy Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)-?
You can request a quote for Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclosporin A, 5-(N-methyl-D-valine)-6-(threo-3-hydroxy-N-methyl-L-leucine)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.