BAS 00478390
TL;DR: BAS 00478390 (CAS 333393-30-9) is a chemical compound with molecular formula C19H13NO5S2 and molecular weight 399.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[(4-benzoyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00478390, AB00088843-01, (E)-2-(5-(4-(benzoyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, [(5E)-4-oxo-5-{4-[(phenylcarbonyl)oxy]benzylidene}-2-thioxo-1,3-thiazolidin-3-yl]acetic acid, 2-[(5E)-5-[(4-benzoyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C19H13NO5S2 |
|---|---|
| Molecular Weight | 399.02 g/mol |
| LogP | 3.1916 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.02353 |
| Heavy Atoms | 27 |
| Complexity | 938.3322 |
Chemical Identifiers
| CAS Number | 333393-30-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O |
Product Overview
BAS 00478390 (CAS 333393-30-9), with molecular formula C19H13NO5S2 and molecular weight 399.02 g/mol. IUPAC: 2-[(5E)-5-[(4-benzoyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of BAS 00478390
Property Insights of BAS 00478390
The XLogP value of 3.1916 indicates that BAS 00478390 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00478390. Following Lipinski's Rule of Five, BAS 00478390 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 00478390?
The CAS number of BAS 00478390 is 333393-30-9.
What is the molecular formula of BAS 00478390?
The molecular formula of BAS 00478390 is C19H13NO5S2.
What is the molecular weight of BAS 00478390?
The molecular weight of BAS 00478390 is 399.02 g/mol.
Where can I buy BAS 00478390?
You can request a quote for BAS 00478390 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00478390?
Yes, KEHONG BIO provides custom synthesis services for BAS 00478390 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.