BAS 00478327
TL;DR: BAS 00478327 (CAS 333393-10-5) is a chemical compound with molecular formula C16H10BrNO4S2 and molecular weight 422.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00478327, AB00087219-01, (E)-2-(5-((5-(3-bromophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, [(5E)-5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid, 2-(5-{[5-(3-bromophenyl)(2-furyl)]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3- yl)acetic acid
| Molecular Formula | C16H10BrNO4S2 |
|---|---|
| Molecular Weight | 422.92 g/mol |
| LogP | 3.9949 |
| Topological Polar Surface Area | 70.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.92346 |
| Heavy Atoms | 24 |
| Complexity | 874.4673 |
Chemical Identifiers
| CAS Number | 333393-10-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O |
Product Overview
BAS 00478327 (CAS 333393-10-5), with molecular formula C16H10BrNO4S2 and molecular weight 422.92 g/mol. IUPAC: 2-[(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of BAS 00478327
Property Insights of BAS 00478327
The XLogP value of 3.9949 indicates that BAS 00478327 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00478327. Following Lipinski's Rule of Five, BAS 00478327 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 00478327?
The CAS number of BAS 00478327 is 333393-10-5.
What is the molecular formula of BAS 00478327?
The molecular formula of BAS 00478327 is C16H10BrNO4S2.
What is the molecular weight of BAS 00478327?
The molecular weight of BAS 00478327 is 422.92 g/mol.
Where can I buy BAS 00478327?
You can request a quote for BAS 00478327 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00478327?
Yes, KEHONG BIO provides custom synthesis services for BAS 00478327 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.