佐泊来他
TL;DR: 佐泊来他 (CAS 110703-94-1) is a chemical compound with molecular formula C19H12F3N3O3S and molecular weight 419.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
佐泊来他
2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-yl]acetic acid
Also Known As: ZOPOLRESTAT, Alond, Zopolrestatum, Xedia, Zopalrestat
| Molecular Formula | C19H12F3N3O3S |
|---|---|
| Molecular Weight | 419.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.05515 |
| Heavy Atoms | 29 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 110703-94-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=C(S3)C=CC(=C4)C(F)(F)F)CC(=O)O |
| InChIKey | BCSVCWVQNOXFGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
佐泊来他 (CAS 110703-94-1), with molecular formula C19H12F3N3O3S and molecular weight 419.06 g/mol. IUPAC: 2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-yl]acetic acid.
Chemical Property Profile of 佐泊来他
Property Insights of 佐泊来他
The XLogP value of 3.5 indicates that 佐泊来他 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 佐泊来他. Following Lipinski's Rule of Five, 佐泊来他 has 1 hydrogen bond donor(s) and 9 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 佐泊来他?
The CAS number of 佐泊来他 is 110703-94-1.
What is the molecular formula of 佐泊来他?
The molecular formula of 佐泊来他 is C19H12F3N3O3S.
What is the molecular weight of 佐泊来他?
The molecular weight of 佐泊来他 is 419.06 g/mol.
Where can I buy 佐泊来他?
You can request a quote for 佐泊来他 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 佐泊来他?
Yes, KEHONG BIO provides custom synthesis services for 佐泊来他 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.