ChemDiv3_010419
TL;DR: ChemDiv3_010419 (CAS 847403-79-6) is a chemical compound with molecular formula C19H13F3N4O3S2 and molecular weight 466.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: ChemDiv3_010419, BRD-K98754372-001-01-8, F0665-0820, 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, 2-[[5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
| Molecular Formula | C19H13F3N4O3S2 |
|---|---|
| Molecular Weight | 466.04 g/mol |
| LogP | 3.8875 |
| Topological Polar Surface Area | 90.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.03812 |
| Heavy Atoms | 31 |
| Complexity | 1326.9244 |
Chemical Identifiers
| CAS Number | 847403-79-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)SCC(=O)O |
Product Overview
ChemDiv3_010419 (CAS 847403-79-6), with molecular formula C19H13F3N4O3S2 and molecular weight 466.04 g/mol. IUPAC: 2-[[5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of ChemDiv3_010419
Property Insights of ChemDiv3_010419
The XLogP value of 3.8875 indicates that ChemDiv3_010419 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010419. Following Lipinski's Rule of Five, ChemDiv3_010419 has 1 hydrogen bond donor(s) and 6 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 ChemDiv3_010419?
The CAS number of ChemDiv3_010419 is 847403-79-6.
What is the molecular formula of ChemDiv3_010419?
The molecular formula of ChemDiv3_010419 is C19H13F3N4O3S2.
What is the molecular weight of ChemDiv3_010419?
The molecular weight of ChemDiv3_010419 is 466.04 g/mol.
Where can I buy ChemDiv3_010419?
You can request a quote for ChemDiv3_010419 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010419?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010419 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.