ChemDiv1_002701
TL;DR: ChemDiv1_002701 (CAS 301176-77-2) is a chemical compound with molecular formula C20H12ClF3N2OS2 and molecular weight 452.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
Also Known As: ChemDiv1_002701, 3-chloro-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzo[b]thiophene-2-carboxamide, AB00667587-01, F0344-0969, 3-CHLORO-N-(5-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-1,3-THIAZOL-2-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE
| Molecular Formula | C20H12ClF3N2OS2 |
|---|---|
| Molecular Weight | 452.00 g/mol |
| LogP | 6.8731 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.00317 |
| Heavy Atoms | 29 |
| Complexity | 1199.88 |
Chemical Identifiers
| CAS Number | 301176-77-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)C(F)(F)F)Cl |
Product Overview
ChemDiv1_002701 (CAS 301176-77-2), with molecular formula C20H12ClF3N2OS2 and molecular weight 452.00 g/mol. IUPAC: 3-chloro-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ChemDiv1_002701
Property Insights of ChemDiv1_002701
The XLogP value of 6.8731 indicates that ChemDiv1_002701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, ChemDiv1_002701 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_002701 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002701?
The CAS number of ChemDiv1_002701 is 301176-77-2.
What is the molecular formula of ChemDiv1_002701?
The molecular formula of ChemDiv1_002701 is C20H12ClF3N2OS2.
What is the molecular weight of ChemDiv1_002701?
The molecular weight of ChemDiv1_002701 is 452.00 g/mol.
Where can I buy ChemDiv1_002701?
You can request a quote for ChemDiv1_002701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002701?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.