CTK3E9150
TL;DR: CTK3E9150 (CAS 89270-25-7) is a chemical compound with molecular formula C62H111N11O13 and molecular weight 1217.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(1R,2R)-1-hydroxy-2-methylhex-4-enyl]-9-(2-hydroxy-2-methylpropyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,18,24-tris(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: (4-Hydroxy-N-methyl-L-leucine)cyclosporine, (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-Ethyl-33-((E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl)-9-(2-hydroxy-2-methyl-propyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,18,24-tris(2-methylpropyl)-3,21-dipropan-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, (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-9-(2-hydroxy-2-methyl-propyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,18,24-tris(2-methylpropyl)-3,21-dipropan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacon, (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-Ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-9-(2-hydroxy-2-methyl-propyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,18,24-tris(2-methylpropyl)-3,21-dipropan-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 | C62H111N11O13 |
|---|---|
| Molecular Weight | 1217.84 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 299.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 15 |
| Exact Mass | 1217.8363 |
| Heavy Atoms | 86 |
| Complexity | 2380.0 |
Chemical Identifiers
| CAS Number | 89270-25-7 |
|---|---|
| SMILES | CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](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)O)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
| InChIKey | ODPRYBDBGFBROY-CZTSCGDPSA-N |
Product Overview
CTK3E9150 (CAS 89270-25-7), with molecular formula C62H111N11O13 and molecular weight 1217.84 g/mol. IUPAC: (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(1R,2R)-1-hydroxy-2-methylhex-4-enyl]-9-(2-hydroxy-2-methylpropyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,18,24-tris(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 CTK3E9150
Property Insights of CTK3E9150
The XLogP value of 6.1 indicates that CTK3E9150 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 299.0 Ų indicates high polarity, suggesting CTK3E9150 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3E9150 has 6 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 CTK3E9150?
The CAS number of CTK3E9150 is 89270-25-7.
What is the molecular formula of CTK3E9150?
The molecular formula of CTK3E9150 is C62H111N11O13.
What is the molecular weight of CTK3E9150?
The molecular weight of CTK3E9150 is 1217.84 g/mol.
Where can I buy CTK3E9150?
You can request a quote for CTK3E9150 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E9150?
Yes, KEHONG BIO provides custom synthesis services for CTK3E9150 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.