BAS 02819952
TL;DR: BAS 02819952 (CAS 333739-13-2) is a chemical compound with molecular formula C21H15N5O5S and molecular weight 449.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-nitro-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
Also Known As: BAS 02819952, 4-methoxy-3-nitro-N-((3-(oxazolo[4,5-b]pyridin-2-yl)phenyl)carbamothioyl)benzamide, 4-methoxy-3-nitro-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide, 1-(4-Methoxy-3-nitro-benzoyl)-3-(3-oxazolo[4,5-b]pyridin-2-yl-phenyl)-thiourea, 4-methoxy-3-nitro-N-{[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl}benzamide
| Molecular Formula | C21H15N5O5S |
|---|---|
| Molecular Weight | 449.08 g/mol |
| LogP | 3.9334 |
| Topological Polar Surface Area | 132.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.07938 |
| Heavy Atoms | 32 |
| Complexity | 1320.4303 |
Chemical Identifiers
| CAS Number | 333739-13-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4)[N+](=O)[O-] |
Product Overview
BAS 02819952 (CAS 333739-13-2), with molecular formula C21H15N5O5S and molecular weight 449.08 g/mol. IUPAC: 4-methoxy-3-nitro-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of BAS 02819952
Property Insights of BAS 02819952
The XLogP value of 3.9334 indicates that BAS 02819952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02819952. Following Lipinski's Rule of Five, BAS 02819952 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 02819952?
The CAS number of BAS 02819952 is 333739-13-2.
What is the molecular formula of BAS 02819952?
The molecular formula of BAS 02819952 is C21H15N5O5S.
What is the molecular weight of BAS 02819952?
The molecular weight of BAS 02819952 is 449.08 g/mol.
Where can I buy BAS 02819952?
You can request a quote for BAS 02819952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02819952?
Yes, KEHONG BIO provides custom synthesis services for BAS 02819952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.