RI 61
TL;DR: RI 61 (CAS 95034-26-7) is a chemical compound with molecular formula C60H77N13O10 and molecular weight 1139.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid
Also Known As: RI 61, Pro-his-pro-phe-his-leu-phe-val-phe, (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid, L-prolyl-L-histidyl-L-prolyl-L-phenylalanyl-L-histidyl-L-leucyl-L-phenylalanyl-L-valyl-L-phenylalanine, L-Phenylalanine, N-(N-(N-(N-(N-(N-(1-(N-L-prolyl-L-histidyl)-L-prolyl)-L-phenylalanyl)-L-histidyl)-L-leucyl)-L-phenylalanyl)-L-valyl)-
| Molecular Formula | C60H77N13O10 |
|---|---|
| Molecular Weight | 1139.59 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 331.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 29 |
| Exact Mass | 1139.5917 |
| Heavy Atoms | 83 |
| Complexity | 2170.0 |
Chemical Identifiers
| CAS Number | 95034-26-7 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC6=CN=CN6)NC(=O)[C@@H]7CCCN7 |
| InChIKey | NFZJRXURMNGBNB-ZTNWZYIDSA-N |
Product Overview
RI 61 (CAS 95034-26-7), with molecular formula C60H77N13O10 and molecular weight 1139.59 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of RI 61
Property Insights of RI 61
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RI 61. The TPSA of 331.0 Ų indicates high polarity, suggesting RI 61 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RI 61 has 11 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 RI 61?
The CAS number of RI 61 is 95034-26-7.
What is the molecular formula of RI 61?
The molecular formula of RI 61 is C60H77N13O10.
What is the molecular weight of RI 61?
The molecular weight of RI 61 is 1139.59 g/mol.
Where can I buy RI 61?
You can request a quote for RI 61 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RI 61?
Yes, KEHONG BIO provides custom synthesis services for RI 61 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.