Isocyclosporin A (9CI)
TL;DR: Isocyclosporin A (9CI) (CAS 83602-43-1) is a chemical compound with molecular formula C62H111N11O12 and molecular weight 1201.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
30-ethyl-34-hex-4-en-2-yl-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Also Known As: Isocyclosporin A, Iso Cyclosporin A, Iso Cyclosporin H, Isocyclosporin A (9CI), 30-ethyl-34-hex-4-en-2-yl-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
| Molecular Formula | C62H111N11O12 |
|---|---|
| Molecular Weight | 1201.84 g/mol |
| LogP | 3.5809 |
| Topological Polar Surface Area | 276.59 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 15 |
| Exact Mass | 1201.8413 |
| Heavy Atoms | 85 |
| Complexity | 2307.6104 |
Chemical Identifiers
| CAS Number | 83602-43-1 |
|---|---|
| SMILES | CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)OC(C(C(=O)N1)NC)C(C)CC=CC)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 |
Product Overview
Isocyclosporin A (9CI) (CAS 83602-43-1), with molecular formula C62H111N11O12 and molecular weight 1201.84 g/mol. IUPAC: 30-ethyl-34-hex-4-en-2-yl-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.
Chemical Property Profile of Isocyclosporin A (9CI)
Property Insights of Isocyclosporin A (9CI)
The XLogP value of 3.5809 indicates that Isocyclosporin A (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 276.59 Ų indicates high polarity, suggesting Isocyclosporin A (9CI) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isocyclosporin A (9CI) has 5 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 Isocyclosporin A (9CI)?
The CAS number of Isocyclosporin A (9CI) is 83602-43-1.
What is the molecular formula of Isocyclosporin A (9CI)?
The molecular formula of Isocyclosporin A (9CI) is C62H111N11O12.
What is the molecular weight of Isocyclosporin A (9CI)?
The molecular weight of Isocyclosporin A (9CI) is 1201.84 g/mol.
Where can I buy Isocyclosporin A (9CI)?
You can request a quote for Isocyclosporin A (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocyclosporin A (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Isocyclosporin A (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.