Icos-IN-1
TL;DR: Icos-IN-1 (CAS 1006002-58-9) is a chemical compound with molecular formula C17H14Cl2N2O2 and molecular weight 348.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methoxy]-2-methyl-6-(1H-pyrazol-5-yl)phenol
Also Known As: Maybridge1_006400, ICOS-IN-1, BRD-K58087744-001-01-2, (6E)-3-[(3,4-dichlorophenyl)methoxy]-6-(1,2-dihydropyrazol-3-ylidene)-2-methylcyclohexa-2,4-dien-1-one, (6Z)-3-[(3,4-dichlorophenyl)methoxy]-6-(1,2-dihydropyrazol-3-ylidene)-2-methylcyclohexa-2,4-dien-1-one
| Molecular Formula | C17H14Cl2N2O2 |
|---|---|
| Molecular Weight | 348.04 g/mol |
| LogP | 4.97652 |
| Topological Polar Surface Area | 58.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.04324 |
| Heavy Atoms | 23 |
| Complexity | 832.8598 |
Chemical Identifiers
| CAS Number | 1006002-58-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1O)C2=CC=NN2)OCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
Icos-IN-1 (CAS 1006002-58-9), with molecular formula C17H14Cl2N2O2 and molecular weight 348.04 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methoxy]-2-methyl-6-(1H-pyrazol-5-yl)phenol.
Chemical Property Profile of Icos-IN-1
Property Insights of Icos-IN-1
The XLogP value of 4.97652 indicates that Icos-IN-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.14 Ų, Icos-IN-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Icos-IN-1 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Icos-IN-1?
The CAS number of Icos-IN-1 is 1006002-58-9.
What is the molecular formula of Icos-IN-1?
The molecular formula of Icos-IN-1 is C17H14Cl2N2O2.
What is the molecular weight of Icos-IN-1?
The molecular weight of Icos-IN-1 is 348.04 g/mol.
Where can I buy Icos-IN-1?
You can request a quote for Icos-IN-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Icos-IN-1?
Yes, KEHONG BIO provides custom synthesis services for Icos-IN-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.