ChemDiv1_004704
TL;DR: ChemDiv1_004704 (CAS 328038-44-4) is a chemical compound with molecular formula C20H16F3N3O4S3 and molecular weight 515.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrrolidin-1-ylsulfonyl-N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]benzamide
Also Known As: ChemDiv1_004704, SDCCGSBI-0659261.P001, F0180-0096, F0789-0042, 4-(pyrrolidin-1-ylsulfonyl)-N-(4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)benzamide
| Molecular Formula | C20H16F3N3O4S3 |
|---|---|
| Molecular Weight | 515.03 g/mol |
| LogP | 4.6534 |
| Topological Polar Surface Area | 96.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.0255 |
| Heavy Atoms | 33 |
| Complexity | 1278.3043 |
Chemical Identifiers
| CAS Number | 328038-44-4 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=C(S3)C(=O)C(F)(F)F)C4=CC=CS4 |
Product Overview
ChemDiv1_004704 (CAS 328038-44-4), with molecular formula C20H16F3N3O4S3 and molecular weight 515.03 g/mol. IUPAC: 4-pyrrolidin-1-ylsulfonyl-N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]benzamide.
Chemical Property Profile of ChemDiv1_004704
Property Insights of ChemDiv1_004704
The XLogP value of 4.6534 indicates that ChemDiv1_004704 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004704. Following Lipinski's Rule of Five, ChemDiv1_004704 has 1 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 ChemDiv1_004704?
The CAS number of ChemDiv1_004704 is 328038-44-4.
What is the molecular formula of ChemDiv1_004704?
The molecular formula of ChemDiv1_004704 is C20H16F3N3O4S3.
What is the molecular weight of ChemDiv1_004704?
The molecular weight of ChemDiv1_004704 is 515.03 g/mol.
Where can I buy ChemDiv1_004704?
You can request a quote for ChemDiv1_004704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004704?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.