Ici 216140
TL;DR: Ici 216140 (CAS 124001-41-8) is a chemical compound with molecular formula C45H65N13O8 and molecular weight 915.50793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(2-methylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]-4-methyl-2-(methylamino)pentanamide
Also Known As: Ici 216140, m-216140, m 216140, N-Isobutyryl-his-trp-ala-val-ala-his-leu-nhme, (2S)-N-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(2-methylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]-4-methyl-2-(methylamino)pentanamide
Technical Specifications
| Molecular Formula | C45H65N13O8 |
| Molecular Weight | 915.50793 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 306.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 24 |
| Exact Mass | 915.50793 Da |
| Heavy Atoms | 66 |
| Complexity | 1680.0 |
| SMILES | C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)NC(=O)[C@H](CC(C)C)NC)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CN=CN4)NC(=O)C(C)C |
| InChIKey | MMMVZBYIVKTYLE-QHOQUQLNSA-N |
Chemical Property Profile of Ici 216140
Property Insights of Ici 216140
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ici 216140. The TPSA of 306.0 Ų indicates high polarity, suggesting Ici 216140 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ici 216140 has 11 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ici 216140?
The CAS number of Ici 216140 is 124001-41-8.
What is the molecular formula of Ici 216140?
The molecular formula of Ici 216140 is C45H65N13O8.
What is the molecular weight of Ici 216140?
The molecular weight of Ici 216140 is 915.50793 g/mol.
Where can I buy Ici 216140?
You can request a quote for Ici 216140 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ici 216140?
Yes, CoreyChem provides custom synthesis services for Ici 216140 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.