BAS 00779123
TL;DR: BAS 00779123 (CAS 300378-10-3) is a chemical compound with molecular formula C20H18N2O3S2 and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-hydroxyphenyl)butanamide
Also Known As: BAS 00779123, (E)-4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(3-hydroxyphenyl)butanamide, 4-[(5E)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(3-hydroxyphenyl)butanamide, 4-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-hydroxyphenyl)butanamide
| Molecular Formula | C20H18N2O3S2 |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 4.0123 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.0759 |
| Heavy Atoms | 27 |
| Complexity | 897.1097 |
Chemical Identifiers
| CAS Number | 300378-10-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=CC=C3)O |
Product Overview
BAS 00779123 (CAS 300378-10-3), with molecular formula C20H18N2O3S2 and molecular weight 398.08 g/mol. IUPAC: 4-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-hydroxyphenyl)butanamide.
Chemical Property Profile of BAS 00779123
Property Insights of BAS 00779123
The XLogP value of 4.0123 indicates that BAS 00779123 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00779123. Following Lipinski's Rule of Five, BAS 00779123 has 2 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 00779123?
The CAS number of BAS 00779123 is 300378-10-3.
What is the molecular formula of BAS 00779123?
The molecular formula of BAS 00779123 is C20H18N2O3S2.
What is the molecular weight of BAS 00779123?
The molecular weight of BAS 00779123 is 398.08 g/mol.
Where can I buy BAS 00779123?
You can request a quote for BAS 00779123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00779123?
Yes, KEHONG BIO provides custom synthesis services for BAS 00779123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.