BAS 00582369
TL;DR: BAS 00582369 (CAS 5543-70-4) is a chemical compound with molecular formula C22H29N3O3S2 and molecular weight 447.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00582369, BIM-0023422.P001, (5Z)-5-[(4-methoxyphenyl)methylidene]-3-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-(4-methoxybenzylidene)-3-(6-(4-methylpiperazin-1-yl)-6-oxohexyl)-2-thioxothiazolidin-4-one, F0385-0581
| Molecular Formula | C22H29N3O3S2 |
|---|---|
| Molecular Weight | 447.17 g/mol |
| LogP | 3.2308 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.16504 |
| Heavy Atoms | 30 |
| Complexity | 802.3507 |
Chemical Identifiers
| CAS Number | 5543-70-4 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CCCCCN2C(=O)/C(=C/C3=CC=C(C=C3)OC)/SC2=S |
Product Overview
BAS 00582369 (CAS 5543-70-4), with molecular formula C22H29N3O3S2 and molecular weight 447.17 g/mol. IUPAC: (5Z)-5-[(4-methoxyphenyl)methylidene]-3-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00582369
Property Insights of BAS 00582369
The XLogP value of 3.2308 indicates that BAS 00582369 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.09 Ų, BAS 00582369 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00582369 has 0 hydrogen bond donor(s) and 6 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 BAS 00582369?
The CAS number of BAS 00582369 is 5543-70-4.
What is the molecular formula of BAS 00582369?
The molecular formula of BAS 00582369 is C22H29N3O3S2.
What is the molecular weight of BAS 00582369?
The molecular weight of BAS 00582369 is 447.17 g/mol.
Where can I buy BAS 00582369?
You can request a quote for BAS 00582369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00582369?
Yes, KEHONG BIO provides custom synthesis services for BAS 00582369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.