BAS 05228496
TL;DR: BAS 05228496 (CAS 494825-93-3) is a chemical compound with molecular formula C16H15N5O4S2 and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
Also Known As: BAS 05228496, AF-399/41219719, ethyl 4-methyl-2-[({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]-1,3-thiazole-5-carboxylate, ethyl (2Z)-4-methyl-2-[({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)imino]-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 4-methyl-2-({[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)-1,3-thiazole-5-carboxylate
| Molecular Formula | C16H15N5O4S2 |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 2.80402 |
| Topological Polar Surface Area | 120.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.05655 |
| Heavy Atoms | 27 |
| Complexity | 941.45105 |
Chemical Identifiers
| CAS Number | 494825-93-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3)C |
Product Overview
BAS 05228496 (CAS 494825-93-3), with molecular formula C16H15N5O4S2 and molecular weight 405.06 g/mol. IUPAC: ethyl 4-methyl-2-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate.
Chemical Property Profile of BAS 05228496
Property Insights of BAS 05228496
The XLogP value of 2.80402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05228496. The TPSA of 120.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05228496. Following Lipinski's Rule of Five, BAS 05228496 has 1 hydrogen bond donor(s) and 10 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 05228496?
The CAS number of BAS 05228496 is 494825-93-3.
What is the molecular formula of BAS 05228496?
The molecular formula of BAS 05228496 is C16H15N5O4S2.
What is the molecular weight of BAS 05228496?
The molecular weight of BAS 05228496 is 405.06 g/mol.
Where can I buy BAS 05228496?
You can request a quote for BAS 05228496 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05228496?
Yes, KEHONG BIO provides custom synthesis services for BAS 05228496 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.