BAS 00683216
TL;DR: BAS 00683216 (CAS 301305-11-3) is a chemical compound with molecular formula C21H17Cl2N3O3S3 and molecular weight 524.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 00683216, 2-({[(5Z)-5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, (Z)-2-(2-(5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-(2-{5-[(2,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ac etylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H17Cl2N3O3S3 |
|---|---|
| Molecular Weight | 524.98 g/mol |
| LogP | 4.8725 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 524.9809 |
| Heavy Atoms | 32 |
| Complexity | 1192.4379 |
Chemical Identifiers
| CAS Number | 301305-11-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C(=O)/C(=C/C4=C(C=C(C=C4)Cl)Cl)/SC3=S)C(=O)N |
Product Overview
BAS 00683216 (CAS 301305-11-3), with molecular formula C21H17Cl2N3O3S3 and molecular weight 524.98 g/mol. IUPAC: 2-[[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 00683216
Property Insights of BAS 00683216
The XLogP value of 4.8725 indicates that BAS 00683216 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00683216. Following Lipinski's Rule of Five, BAS 00683216 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00683216?
The CAS number of BAS 00683216 is 301305-11-3.
What is the molecular formula of BAS 00683216?
The molecular formula of BAS 00683216 is C21H17Cl2N3O3S3.
What is the molecular weight of BAS 00683216?
The molecular weight of BAS 00683216 is 524.98 g/mol.
Where can I buy BAS 00683216?
You can request a quote for BAS 00683216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00683216?
Yes, KEHONG BIO provides custom synthesis services for BAS 00683216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.