BAS 00781198
TL;DR: BAS 00781198 (CAS 324568-38-9) is a chemical compound with molecular formula C15H17NO3S3 and molecular weight 355.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5E)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Also Known As: BAS 00781198, BIM-0037118.P001, 6-{5-[(3-methyl-2-thienyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid, 6-[(5E)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid, (E)-6-(5-((3-methylthiophen-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid
| Molecular Formula | C15H17NO3S3 |
|---|---|
| Molecular Weight | 355.04 g/mol |
| LogP | 3.90272 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.03705 |
| Heavy Atoms | 22 |
| Complexity | 621.3038 |
Chemical Identifiers
| CAS Number | 324568-38-9 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C/2\C(=O)N(C(=S)S2)CCCCCC(=O)O |
Product Overview
BAS 00781198 (CAS 324568-38-9), with molecular formula C15H17NO3S3 and molecular weight 355.04 g/mol. IUPAC: 6-[(5E)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid.
Chemical Property Profile of BAS 00781198
Property Insights of BAS 00781198
The XLogP value of 3.90272 indicates that BAS 00781198 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, BAS 00781198 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00781198 has 1 hydrogen bond donor(s) and 5 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 00781198?
The CAS number of BAS 00781198 is 324568-38-9.
What is the molecular formula of BAS 00781198?
The molecular formula of BAS 00781198 is C15H17NO3S3.
What is the molecular weight of BAS 00781198?
The molecular weight of BAS 00781198 is 355.04 g/mol.
Where can I buy BAS 00781198?
You can request a quote for BAS 00781198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00781198?
Yes, KEHONG BIO provides custom synthesis services for BAS 00781198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.