BAS 00533984
TL;DR: BAS 00533984 (CAS 5533-10-8) is a chemical compound with molecular formula C16H17NO4S3 and molecular weight 383.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid
Also Known As: BAS 00533984, 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-thiazolidin-3-yl]-4-methylsulfanyl-butanoic acid, 2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid
| Molecular Formula | C16H17NO4S3 |
|---|---|
| Molecular Weight | 383.03 g/mol |
| LogP | 3.1027 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.03198 |
| Heavy Atoms | 24 |
| Complexity | 689.655 |
Chemical Identifiers
| CAS Number | 5533-10-8 |
|---|---|
| SMILES | COC1=CC=CC=C1C=C2C(=O)N(C(=S)S2)C(CCSC)C(=O)O |
Product Overview
BAS 00533984 (CAS 5533-10-8), with molecular formula C16H17NO4S3 and molecular weight 383.03 g/mol. IUPAC: 2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of BAS 00533984
Property Insights of BAS 00533984
The XLogP value of 3.1027 indicates that BAS 00533984 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00533984. Following Lipinski's Rule of Five, BAS 00533984 has 1 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 00533984?
The CAS number of BAS 00533984 is 5533-10-8.
What is the molecular formula of BAS 00533984?
The molecular formula of BAS 00533984 is C16H17NO4S3.
What is the molecular weight of BAS 00533984?
The molecular weight of BAS 00533984 is 383.03 g/mol.
Where can I buy BAS 00533984?
You can request a quote for BAS 00533984 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00533984?
Yes, KEHONG BIO provides custom synthesis services for BAS 00533984 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.