BAS 00836827
TL;DR: BAS 00836827 (CAS 304893-15-0) is a chemical compound with molecular formula C23H21ClN2O2S2 and molecular weight 456.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(3-chlorophenyl)-5-(1-hexyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00836827, A2194/0092312, 3-(3-chlorophenyl)-5-(1-hexyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)-2-thioxo-1,3-thiazolan-4-one, (Z)-3-(3-chlorophenyl)-5-(1-hexyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one, (3Z)-3-[3-(3-chlorophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-hexyl-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C23H21ClN2O2S2 |
|---|---|
| Molecular Weight | 456.07 g/mol |
| LogP | 6.0429 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.0733 |
| Heavy Atoms | 30 |
| Complexity | 1066.6736 |
Chemical Identifiers
| CAS Number | 304893-15-0 |
|---|---|
| SMILES | CCCCCCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)C4=CC(=CC=C4)Cl)/C1=O |
Product Overview
BAS 00836827 (CAS 304893-15-0), with molecular formula C23H21ClN2O2S2 and molecular weight 456.07 g/mol. IUPAC: (5Z)-3-(3-chlorophenyl)-5-(1-hexyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00836827
Property Insights of BAS 00836827
The XLogP value of 6.0429 indicates that BAS 00836827 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, BAS 00836827 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00836827 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00836827?
The CAS number of BAS 00836827 is 304893-15-0.
What is the molecular formula of BAS 00836827?
The molecular formula of BAS 00836827 is C23H21ClN2O2S2.
What is the molecular weight of BAS 00836827?
The molecular weight of BAS 00836827 is 456.07 g/mol.
Where can I buy BAS 00836827?
You can request a quote for BAS 00836827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00836827?
Yes, KEHONG BIO provides custom synthesis services for BAS 00836827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.