Ici 111075
TL;DR: Ici 111075 (CAS 667-35-6) is a chemical compound with molecular formula C11H5Cl5O4 and molecular weight 375.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dichloromethylidene)-2-(trichloromethyl)-1,3-benzodioxine-6-carboxylic acid
Also Known As: Ici 111075, 4-(dichloromethylidene)-2-(trichloromethyl)-4h-1,3-benzodioxine-6-carboxylic acid, 4H-1,3-Benzodioxin-6-carboxylic acid, 4-(dichloromethylene)-2-(trichloromethyl)-, 2-Trichloromethyl-4-dichloromethylenebenzo(1,3)dioxin-6-carboxylic acid, 4-dichloromethylene-2-trichloromethybenzo[1,3]dioxin-6-carboxylic acid
| Molecular Formula | C11H5Cl5O4 |
|---|---|
| Molecular Weight | 375.86 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 375.86304 |
| Heavy Atoms | 20 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 667-35-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)C(=C(Cl)Cl)OC(O2)C(Cl)(Cl)Cl |
| InChIKey | WZRNENAPILBIHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ici 111075 (CAS 667-35-6), with molecular formula C11H5Cl5O4 and molecular weight 375.86 g/mol. IUPAC: 4-(dichloromethylidene)-2-(trichloromethyl)-1,3-benzodioxine-6-carboxylic acid.
Chemical Property Profile of Ici 111075
Property Insights of Ici 111075
The XLogP value of 4.9 indicates that Ici 111075 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Ici 111075 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ici 111075 has 1 hydrogen bond donor(s) and 4 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 Ici 111075?
The CAS number of Ici 111075 is 667-35-6.
What is the molecular formula of Ici 111075?
The molecular formula of Ici 111075 is C11H5Cl5O4.
What is the molecular weight of Ici 111075?
The molecular weight of Ici 111075 is 375.86 g/mol.
Where can I buy Ici 111075?
You can request a quote for Ici 111075 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ici 111075?
Yes, KEHONG BIO provides custom synthesis services for Ici 111075 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.