BAS 05228503
TL;DR: BAS 05228503 (CAS 494825-99-9) is a chemical compound with molecular formula C18H20N6O4S3 and molecular weight 480.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: BAS 05228503, ethyl 2-(2-((5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4-methylthiazole-5-carboxylate, F1178-0010, ethyl 2-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate, ETHYL 2-{2-[(5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-1,3,4-OXADIAZOL-2-YL)SULFANYL]ACETAMIDO}-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
| Molecular Formula | C18H20N6O4S3 |
|---|---|
| Molecular Weight | 480.07 g/mol |
| LogP | 3.44116 |
| Topological Polar Surface Area | 132.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.07083 |
| Heavy Atoms | 31 |
| Complexity | 1063.937 |
Chemical Identifiers
| CAS Number | 494825-99-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=C(O2)CSC3=NC(=CC(=N3)C)C)C |
Product Overview
BAS 05228503 (CAS 494825-99-9), with molecular formula C18H20N6O4S3 and molecular weight 480.07 g/mol. IUPAC: ethyl 2-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of BAS 05228503
Property Insights of BAS 05228503
The XLogP value of 3.44116 indicates that BAS 05228503 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05228503. Following Lipinski's Rule of Five, BAS 05228503 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 05228503?
The CAS number of BAS 05228503 is 494825-99-9.
What is the molecular formula of BAS 05228503?
The molecular formula of BAS 05228503 is C18H20N6O4S3.
What is the molecular weight of BAS 05228503?
The molecular weight of BAS 05228503 is 480.07 g/mol.
Where can I buy BAS 05228503?
You can request a quote for BAS 05228503 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05228503?
Yes, KEHONG BIO provides custom synthesis services for BAS 05228503 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.