ChemDiv1_008985
TL;DR: ChemDiv1_008985 (CAS 374693-19-3) is a chemical compound with molecular formula C21H20N4O3S3 and molecular weight 472.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_008985, UPCMLD0ENAT0513-4836:001, AF-399/15392093, methyl 6-methyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C21H20N4O3S3 |
|---|---|
| Molecular Weight | 472.07 g/mol |
| LogP | 4.6477 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.06976 |
| Heavy Atoms | 31 |
| Complexity | 1306.1692 |
Chemical Identifiers
| CAS Number | 374693-19-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 |
Product Overview
ChemDiv1_008985 (CAS 374693-19-3), with molecular formula C21H20N4O3S3 and molecular weight 472.07 g/mol. IUPAC: methyl 6-methyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_008985
Property Insights of ChemDiv1_008985
The XLogP value of 4.6477 indicates that ChemDiv1_008985 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_008985. Following Lipinski's Rule of Five, ChemDiv1_008985 has 1 hydrogen bond donor(s) and 8 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 ChemDiv1_008985?
The CAS number of ChemDiv1_008985 is 374693-19-3.
What is the molecular formula of ChemDiv1_008985?
The molecular formula of ChemDiv1_008985 is C21H20N4O3S3.
What is the molecular weight of ChemDiv1_008985?
The molecular weight of ChemDiv1_008985 is 472.07 g/mol.
Where can I buy ChemDiv1_008985?
You can request a quote for ChemDiv1_008985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008985?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.