Itazigrel
TL;DR: Itazigrel (CAS 70529-35-0) is a chemical compound with molecular formula C18H14F3NO2S and molecular weight 365.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole
Also Known As: ITAZIGREL, Itazigrelum, Itazogrel, Itazigrelum [Latin], Itazigrel [USAN:INN]
| Molecular Formula | C18H14F3NO2S |
|---|---|
| Molecular Weight | 365.07 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.06973 |
| Heavy Atoms | 25 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 70529-35-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(SC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC |
| InChIKey | CIPBQTCSXVEDSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Itazigrel (CAS 70529-35-0), with molecular formula C18H14F3NO2S and molecular weight 365.07 g/mol. IUPAC: 4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole.
Chemical Property Profile of Itazigrel
Property Insights of Itazigrel
The XLogP value of 5.1 indicates that Itazigrel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, Itazigrel exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Itazigrel has 0 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 Itazigrel?
The CAS number of Itazigrel is 70529-35-0.
What is the molecular formula of Itazigrel?
The molecular formula of Itazigrel is C18H14F3NO2S.
What is the molecular weight of Itazigrel?
The molecular weight of Itazigrel is 365.07 g/mol.
Where can I buy Itazigrel?
You can request a quote for Itazigrel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Itazigrel?
Yes, KEHONG BIO provides custom synthesis services for Itazigrel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.