Ici 154129
TL;DR: Ici 154129 (CAS 83420-94-4) is a chemical compound with molecular formula C34H46N4O6S and molecular weight 638.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[2-[[2-[[(2S)-2-[bis(prop-2-enyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]ethylsulfanyl]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Also Known As: ICI 154129, ICI 154,129, EX-A14196, M 154,129, M-154,129
| Molecular Formula | C34H46N4O6S |
|---|---|
| Molecular Weight | 638.31 g/mol |
| LogP | 3.1697 |
| Topological Polar Surface Area | 148.07 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 21 |
| Exact Mass | 638.3138 |
| Heavy Atoms | 45 |
| Complexity | 1245.0944 |
Chemical Identifiers
| CAS Number | 83420-94-4 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)SCCNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N(CC=C)CC=C |
Product Overview
Ici 154129 (CAS 83420-94-4), with molecular formula C34H46N4O6S and molecular weight 638.31 g/mol. IUPAC: (2S)-2-[[(2S)-2-[2-[[2-[[(2S)-2-[bis(prop-2-enyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]ethylsulfanyl]-3-phenylpropanoyl]amino]-4-methylpentanoic acid.
Chemical Property Profile of Ici 154129
Property Insights of Ici 154129
The XLogP value of 3.1697 indicates that Ici 154129 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.07 Ų indicates high polarity, suggesting Ici 154129 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ici 154129 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 154129?
The CAS number of Ici 154129 is 83420-94-4.
What is the molecular formula of Ici 154129?
The molecular formula of Ici 154129 is C34H46N4O6S.
What is the molecular weight of Ici 154129?
The molecular weight of Ici 154129 is 638.31 g/mol.
Where can I buy Ici 154129?
You can request a quote for Ici 154129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ici 154129?
Yes, KEHONG BIO provides custom synthesis services for Ici 154129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.