Cyclosporin metabolite M21
TL;DR: Cyclosporin metabolite M21 (CAS 89270-23-5) is a chemical compound with molecular formula C61H109N11O12 and molecular weight 1187.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
30-ethyl-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-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: Cyclosporin metabolite M21, (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,28-octamethyl-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
| Molecular Formula | C61H109N11O12 |
|---|---|
| Molecular Weight | 1187.83 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 1187.8257 |
| Heavy Atoms | 84 |
| Complexity | 2290.0 |
Chemical Identifiers
| CAS Number | 89270-23-5 |
|---|---|
| SMILES | CCC1C(=O)N(CC(=O)NC(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 |
| InChIKey | MIIRLHRXLLVIMF-UHFFFAOYSA-N |
Product Overview
Cyclosporin metabolite M21 (CAS 89270-23-5), with molecular formula C61H109N11O12 and molecular weight 1187.83 g/mol. IUPAC: 30-ethyl-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-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 metabolite M21
Property Insights of Cyclosporin metabolite M21
The XLogP value of 7.3 indicates that Cyclosporin metabolite M21 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 288.0 Ų indicates high polarity, suggesting Cyclosporin metabolite M21 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclosporin metabolite M21 has 6 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 metabolite M21?
The CAS number of Cyclosporin metabolite M21 is 89270-23-5.
What is the molecular formula of Cyclosporin metabolite M21?
The molecular formula of Cyclosporin metabolite M21 is C61H109N11O12.
What is the molecular weight of Cyclosporin metabolite M21?
The molecular weight of Cyclosporin metabolite M21 is 1187.83 g/mol.
Where can I buy Cyclosporin metabolite M21?
You can request a quote for Cyclosporin metabolite M21 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclosporin metabolite M21?
Yes, KEHONG BIO provides custom synthesis services for Cyclosporin metabolite M21 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.