BAS 00683204
TL;DR: BAS 00683204 (CAS 301305-06-6) is a chemical compound with molecular formula C23H21ClN2O4S3 and molecular weight 520.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00683204, ethyl 2-(2-{5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl} acetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, (Z)-ethyl 2-(2-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C23H21ClN2O4S3 |
|---|---|
| Molecular Weight | 520.04 g/mol |
| LogP | 5.2969 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.0352 |
| Heavy Atoms | 33 |
| Complexity | 1174.4515 |
Chemical Identifiers
| CAS Number | 301305-06-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)/C(=C/C4=CC=CC=C4Cl)/SC3=S |
Product Overview
BAS 00683204 (CAS 301305-06-6), with molecular formula C23H21ClN2O4S3 and molecular weight 520.04 g/mol. IUPAC: ethyl 2-[[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00683204
Property Insights of BAS 00683204
The XLogP value of 5.2969 indicates that BAS 00683204 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00683204. Following Lipinski's Rule of Five, BAS 00683204 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 BAS 00683204?
The CAS number of BAS 00683204 is 301305-06-6.
What is the molecular formula of BAS 00683204?
The molecular formula of BAS 00683204 is C23H21ClN2O4S3.
What is the molecular weight of BAS 00683204?
The molecular weight of BAS 00683204 is 520.04 g/mol.
Where can I buy BAS 00683204?
You can request a quote for BAS 00683204 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00683204?
Yes, KEHONG BIO provides custom synthesis services for BAS 00683204 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.