Ici 174864
TL;DR: Ici 174864 (CAS 89352-67-0) is a chemical compound with molecular formula C34H46N4O6 and molecular weight 606.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[bis(prop-2-enyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Also Known As: Ici 174864, N,N-Diallyl-tyr-aib-phe-leu, ICI 174,864, PDSP1_001228, PDSP2_001212
| Molecular Formula | C34H46N4O6 |
|---|---|
| Molecular Weight | 606.34 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 606.34174 |
| Heavy Atoms | 44 |
| Complexity | 959.0 |
Chemical Identifiers
| CAS Number | 89352-67-0 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(C)(C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N(CC=C)CC=C |
| InChIKey | BGJPRBZZLWCLJW-AWCRTANDSA-N |
Product Overview
Ici 174864 (CAS 89352-67-0), with molecular formula C34H46N4O6 and molecular weight 606.34 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[bis(prop-2-enyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid.
Chemical Property Profile of Ici 174864
Property Insights of Ici 174864
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ici 174864. The TPSA of 148.0 Ų indicates high polarity, suggesting Ici 174864 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ici 174864 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ici 174864?
The CAS number of Ici 174864 is 89352-67-0.
What is the molecular formula of Ici 174864?
The molecular formula of Ici 174864 is C34H46N4O6.
What is the molecular weight of Ici 174864?
The molecular weight of Ici 174864 is 606.34 g/mol.
Where can I buy Ici 174864?
You can request a quote for Ici 174864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ici 174864?
Yes, KEHONG BIO provides custom synthesis services for Ici 174864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.