ChemDiv1_004964
TL;DR: ChemDiv1_004964 (CAS 315682-33-8) is a chemical compound with molecular formula C21H16N4O4S3 and molecular weight 484.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(furan-2-yl)-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: ChemDiv1_004964, AF-399/15128418, ethyl 4-(furan-2-yl)-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate, F0863-0164, ethyl 4-(furan-2-yl)-2-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-3-carboxylate
| Molecular Formula | C21H16N4O4S3 |
|---|---|
| Molecular Weight | 484.03 g/mol |
| LogP | 5.173 |
| Topological Polar Surface Area | 98.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.03336 |
| Heavy Atoms | 32 |
| Complexity | 1417.754 |
Chemical Identifiers
| CAS Number | 315682-33-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 |
Product Overview
ChemDiv1_004964 (CAS 315682-33-8), with molecular formula C21H16N4O4S3 and molecular weight 484.03 g/mol. IUPAC: ethyl 4-(furan-2-yl)-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_004964
Property Insights of ChemDiv1_004964
The XLogP value of 5.173 indicates that ChemDiv1_004964 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004964. Following Lipinski's Rule of Five, ChemDiv1_004964 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004964?
The CAS number of ChemDiv1_004964 is 315682-33-8.
What is the molecular formula of ChemDiv1_004964?
The molecular formula of ChemDiv1_004964 is C21H16N4O4S3.
What is the molecular weight of ChemDiv1_004964?
The molecular weight of ChemDiv1_004964 is 484.03 g/mol.
Where can I buy ChemDiv1_004964?
You can request a quote for ChemDiv1_004964 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004964?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004964 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.