CCI-1004 free base
TL;DR: CCI-1004 free base (CAS 224775-74-0) is a chemical compound with molecular formula C33H50N8O8S and molecular weight 718.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dioxopyrrolidin-1-yl) 6-[[(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carbonyl]amino]hexanoate
Also Known As: CCI-1004 free base, Hexanoic acid, 6-((((2R,4R)-1-((2S)-5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-2-piperidinyl)carbonyl)amino)-, 2,5-dioxo-1-pyrrolidinyl ester, 2-Piperidinecarboxamide, 1-((2S)-5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-N-(6-((2,5-dioxo-1-pyrrolidinyl)oxy)-6-oxohexyl)-4-methyl-, (2R,4R)-
| Molecular Formula | C33H50N8O8S |
|---|---|
| Molecular Weight | 718.35 g/mol |
| LogP | 0.9021 |
| Topological Polar Surface Area | 235.69 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 718.3472 |
| Heavy Atoms | 50 |
| Complexity | 1548.1724 |
Chemical Identifiers
| CAS Number | 224775-74-0 |
|---|---|
| SMILES | C[C@@H]1CCN([C@H](C1)C(=O)NCCCCCC(=O)ON2C(=O)CCC2=O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C3=CC=CC4=C3NCC(C4)C |
Product Overview
CCI-1004 free base (CAS 224775-74-0), with molecular formula C33H50N8O8S and molecular weight 718.35 g/mol. IUPAC: (2,5-dioxopyrrolidin-1-yl) 6-[[(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carbonyl]amino]hexanoate.
Chemical Property Profile of CCI-1004 free base
Property Insights of CCI-1004 free base
The XLogP value of 0.9021 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CCI-1004 free base. The TPSA of 235.69 Ų indicates high polarity, suggesting CCI-1004 free base may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CCI-1004 free base has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CCI-1004 free base?
The CAS number of CCI-1004 free base is 224775-74-0.
What is the molecular formula of CCI-1004 free base?
The molecular formula of CCI-1004 free base is C33H50N8O8S.
What is the molecular weight of CCI-1004 free base?
The molecular weight of CCI-1004 free base is 718.35 g/mol.
Where can I buy CCI-1004 free base?
You can request a quote for CCI-1004 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CCI-1004 free base?
Yes, KEHONG BIO provides custom synthesis services for CCI-1004 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.