Geclosporin
TL;DR: Geclosporin (CAS 74436-00-3) is a chemical compound with molecular formula C63H113N11O12 and molecular weight 1215.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-30-propyl-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: Geclosporin, cyclosporine G, Cyclosporin G, 2-norVal-cyclosporin, 33-(1-Hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-30-propyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
| Molecular Formula | C63H113N11O12 |
|---|---|
| Molecular Weight | 1215.86 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 279.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 1215.857 |
| Heavy Atoms | 86 |
| Complexity | 2340.0 |
Chemical Identifiers
| CAS Number | 74436-00-3 |
|---|---|
| SMILES | CCCC1C(=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)N(C(C(=O)N1)C(C(C)CC=CC)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 | ZMKGDQSIRSGUDJ-UHFFFAOYSA-N |
Product Overview
Geclosporin (CAS 74436-00-3), with molecular formula C63H113N11O12 and molecular weight 1215.86 g/mol. IUPAC: 33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-30-propyl-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 Geclosporin
Property Insights of Geclosporin
The XLogP value of 7.9 indicates that Geclosporin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 279.0 Ų indicates high polarity, suggesting Geclosporin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Geclosporin 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 Geclosporin?
The CAS number of Geclosporin is 74436-00-3.
What is the molecular formula of Geclosporin?
The molecular formula of Geclosporin is C63H113N11O12.
What is the molecular weight of Geclosporin?
The molecular weight of Geclosporin is 1215.86 g/mol.
Where can I buy Geclosporin?
You can request a quote for Geclosporin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Geclosporin?
Yes, KEHONG BIO provides custom synthesis services for Geclosporin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.