BAS 02054844
TL;DR: BAS 02054844 (CAS 312939-05-2) is a chemical compound with molecular formula C19H16N4O3S3 and molecular weight 444.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzenesulfonamide
Also Known As: BAS 02054844, AE-848/10194023, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)amino)benzenesulfonamide, N-(5-ETHYL-1,3,4-THIADIAZOL-2-YL)-4-({[(2E)-3-OXO-2,3-DIHYDRO-1-BENZOTHIOPHEN-2-YLIDENE]METHYL}AMINO)BENZENE-1-SULFONAMIDE, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(3-oxo-1-benzothiophen-2-ylidene)methylamino]benzenesulfonamide
| Molecular Formula | C19H16N4O3S3 |
|---|---|
| Molecular Weight | 444.04 g/mol |
| LogP | 4.5722 |
| Topological Polar Surface Area | 104.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.03845 |
| Heavy Atoms | 29 |
| Complexity | 1291.9954 |
Chemical Identifiers
| CAS Number | 312939-05-2 |
|---|---|
| SMILES | CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=C(C4=CC=CC=C4S3)O |
Product Overview
BAS 02054844 (CAS 312939-05-2), with molecular formula C19H16N4O3S3 and molecular weight 444.04 g/mol. IUPAC: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzenesulfonamide.
Chemical Property Profile of BAS 02054844
Property Insights of BAS 02054844
The XLogP value of 4.5722 indicates that BAS 02054844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02054844. Following Lipinski's Rule of Five, BAS 02054844 has 2 hydrogen bond donor(s) and 8 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 02054844?
The CAS number of BAS 02054844 is 312939-05-2.
What is the molecular formula of BAS 02054844?
The molecular formula of BAS 02054844 is C19H16N4O3S3.
What is the molecular weight of BAS 02054844?
The molecular weight of BAS 02054844 is 444.04 g/mol.
Where can I buy BAS 02054844?
You can request a quote for BAS 02054844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02054844?
Yes, KEHONG BIO provides custom synthesis services for BAS 02054844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.