BAS 12945225
TL;DR: BAS 12945225 (CAS 853751-97-0) is a chemical compound with molecular formula C19H16N4O5S2 and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
Also Known As: BAS 12945225, AT-057/43467964, 3-(2-oxobenzo[d]oxazol-3(2H)-yl)-N-(4-(N-(thiazol-2-yl)sulfamoyl)phenyl)propanamide, F0643-0169, 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
| Molecular Formula | C19H16N4O5S2 |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 2.8806 |
| Topological Polar Surface Area | 123.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.0562 |
| Heavy Atoms | 30 |
| Complexity | 1339.8513 |
Chemical Identifiers
| CAS Number | 853751-97-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4 |
Product Overview
BAS 12945225 (CAS 853751-97-0), with molecular formula C19H16N4O5S2 and molecular weight 444.06 g/mol. IUPAC: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
Chemical Property Profile of BAS 12945225
Property Insights of BAS 12945225
The XLogP value of 2.8806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12945225. The TPSA of 123.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12945225. Following Lipinski's Rule of Five, BAS 12945225 has 2 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 12945225?
The CAS number of BAS 12945225 is 853751-97-0.
What is the molecular formula of BAS 12945225?
The molecular formula of BAS 12945225 is C19H16N4O5S2.
What is the molecular weight of BAS 12945225?
The molecular weight of BAS 12945225 is 444.06 g/mol.
Where can I buy BAS 12945225?
You can request a quote for BAS 12945225 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12945225?
Yes, KEHONG BIO provides custom synthesis services for BAS 12945225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.