ChemDiv1_008441
TL;DR: ChemDiv1_008441 (CAS 315679-02-8) is a chemical compound with molecular formula C22H16N4O3S3 and molecular weight 480.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-phenyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: ChemDiv1_008441, DivK1c_003081, CDS1_002041, VU0060972-1, AF-399/14664021
| Molecular Formula | C22H16N4O3S3 |
|---|---|
| Molecular Weight | 480.04 g/mol |
| LogP | 5.1899 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.03845 |
| Heavy Atoms | 32 |
| Complexity | 1438.9773 |
Chemical Identifiers
| CAS Number | 315679-02-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 |
Product Overview
ChemDiv1_008441 (CAS 315679-02-8), with molecular formula C22H16N4O3S3 and molecular weight 480.04 g/mol. IUPAC: methyl 4-phenyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_008441
Property Insights of ChemDiv1_008441
The XLogP value of 5.1899 indicates that ChemDiv1_008441 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008441. Following Lipinski's Rule of Five, ChemDiv1_008441 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_008441?
The CAS number of ChemDiv1_008441 is 315679-02-8.
What is the molecular formula of ChemDiv1_008441?
The molecular formula of ChemDiv1_008441 is C22H16N4O3S3.
What is the molecular weight of ChemDiv1_008441?
The molecular weight of ChemDiv1_008441 is 480.04 g/mol.
Where can I buy ChemDiv1_008441?
You can request a quote for ChemDiv1_008441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008441?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.