环孢素
TL;DR: 环孢素 (CAS 79217-60-0) 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.
环孢素
30-ethyl-33-[(1R,2R)-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)-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: cyclosporine, Q333, 30-ethyl-33-[(1R,2R)-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)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone, 30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE, cyclo[DL-Abu-Sar-DL-N(Me)Leu-DL-Val-DL-N(Me)Leu-DL-Ala-DL-Ala-DL-N(Me)Leu-DL-N(Me)Leu-DL-N(Me)Val-DL-N(Me)Bmt]
| Molecular Formula | C62H111N11O12 |
|---|---|
| Molecular Weight | 1201.84 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 279.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 1201.8413 |
| Heavy Atoms | 85 |
| Complexity | 2330.0 |
Chemical Identifiers
| CAS Number | 79217-60-0 |
|---|---|
| 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)N(C(C(=O)N1)[C@@H]([C@H](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 | PMATZTZNYRCHOR-GNSAQUIPSA-N |
Product Overview
环孢素 (CAS 79217-60-0), with molecular formula C62H111N11O12 and molecular weight 1201.84 g/mol. IUPAC: 30-ethyl-33-[(1R,2R)-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)-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 环孢素
Property Insights of 环孢素
The XLogP value of 7.5 indicates that 环孢素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 279.0 Ų indicates high polarity, suggesting 环孢素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 环孢素 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 环孢素?
The CAS number of 环孢素 is 79217-60-0.
What is the molecular formula of 环孢素?
The molecular formula of 环孢素 is C62H111N11O12.
What is the molecular weight of 环孢素?
The molecular weight of 环孢素 is 1201.84 g/mol.
Where can I buy 环孢素?
You can request a quote for 环孢素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环孢素?
Yes, KEHONG BIO provides custom synthesis services for 环孢素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.