Tricyclic cyclosporin A
TL;DR: Tricyclic cyclosporin A (CAS 153475-57-1) is a chemical compound with molecular formula C64H111N11O12S and molecular weight 1257.8135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
16-ethyl-13-[(E)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,18,21,27-heptamethyl-4,7,22,28-tetrakis(2-methylpropyl)-10,25-di(propan-2-yl)-35-thia-3,6,9,12,15,18,21,24,27,30,37-undecazatricyclo[29.5.2.034,37]octatriacontane-2,5,8,11,14,17,20,23,26,29,38-undecone
Also Known As: Tricyclic cyclosporin A, 16-ethyl-13-[(E)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,18,21,27-heptamethyl-4,7,22,28-tetrakis(2-methylpropyl)-10,25-di(propan-2-yl)-35-thia-3,6,9,12,15,18,21,24,27,30,37-undecazatricyclo[29.5.2.034,37]octatriacontane-2,5,8,11,14,17,20,23,26,29,38-undecone, Cyclosporin A, 1-((3S-(3alpha,6beta,8aalpha))-hexahydro-5-oxo-6-amino-5H-thiazolo(3,2-a)pyridine-3-carboxylic acid)-2-de-D-alanine, Cyclosporin A,1-((3S-(3alpha,6beta,8aalpha))-hexahydro-5-oxo-6-amino-5H-thiazolo(3,2-a)pyridine-3-carboxylic acid)-2-de-D-alanine
Technical Specifications
| Molecular Formula | C64H111N11O12S |
| Molecular Weight | 1257.8135 g/mol |
| XLogP | 8.1 |
| Topological Polar Surface Area (TPSA) | 295.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 15 |
| Exact Mass | 1257.8135 Da |
| Heavy Atoms | 88 |
| Complexity | 2490.0 |
| SMILES | CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC2CCC3N(C2=O)C(CS3)C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
| InChIKey | MUVQWTITGAVGIC-WJTDDFOZSA-N |
Chemical Property Profile of Tricyclic cyclosporin A
Property Insights of Tricyclic cyclosporin A
The XLogP value of 8.1 indicates that Tricyclic cyclosporin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 295.0 Ų indicates high polarity, suggesting Tricyclic cyclosporin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tricyclic cyclosporin A has 4 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 Tricyclic cyclosporin A?
The CAS number of Tricyclic cyclosporin A is 153475-57-1.
What is the molecular formula of Tricyclic cyclosporin A?
The molecular formula of Tricyclic cyclosporin A is C64H111N11O12S.
What is the molecular weight of Tricyclic cyclosporin A?
The molecular weight of Tricyclic cyclosporin A is 1257.8135 g/mol.
Where can I buy Tricyclic cyclosporin A?
You can request a quote for Tricyclic cyclosporin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tricyclic cyclosporin A?
Yes, CoreyChem provides custom synthesis services for Tricyclic cyclosporin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.