BAS 00294189
TL;DR: BAS 00294189 (CAS 313553-67-2) is a chemical compound with molecular formula C20H20N4O3S2 and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,5Z)-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
Also Known As: BAS 00294189, 3-allyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-2-(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)-1,3-thiazolidin-4-one, (2E,5Z)-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
| Molecular Formula | C20H20N4O3S2 |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 1.4587 |
| Topological Polar Surface Area | 75.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.0977 |
| Heavy Atoms | 29 |
| Complexity | 1239.3932 |
Chemical Identifiers
| CAS Number | 313553-67-2 |
|---|---|
| SMILES | CCN\1C2=C(C=CC(=C2)OC)S/C1=C\3/C(=O)N(/C(=C\4/C(=NNC4=O)C)/S3)CC=C |
Product Overview
BAS 00294189 (CAS 313553-67-2), with molecular formula C20H20N4O3S2 and molecular weight 428.10 g/mol. IUPAC: (2E,5Z)-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00294189
Property Insights of BAS 00294189
The XLogP value of 1.4587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00294189. The TPSA of 75.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00294189. Following Lipinski's Rule of Five, BAS 00294189 has 1 hydrogen bond donor(s) and 7 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 00294189?
The CAS number of BAS 00294189 is 313553-67-2.
What is the molecular formula of BAS 00294189?
The molecular formula of BAS 00294189 is C20H20N4O3S2.
What is the molecular weight of BAS 00294189?
The molecular weight of BAS 00294189 is 428.10 g/mol.
Where can I buy BAS 00294189?
You can request a quote for BAS 00294189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00294189?
Yes, KEHONG BIO provides custom synthesis services for BAS 00294189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.