BAS 02104794
TL;DR: BAS 02104794 (CAS 311788-93-9) is a chemical compound with molecular formula C18H17N5O3S2 and molecular weight 415.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
Also Known As: BAS 02104794, BRD-K05911252-001-01-1, [(5-PHENYL-1,3,4-THIADIAZOL-2-YL)CARBAMOYL]METHYL 2-[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]ACETATE, [2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate, 2-oxo-2-((5-phenyl-1,3,4-thiadiazol-2-yl)amino)ethyl 2-((4,6-dimethylpyrimidin-2-yl)thio)acetate
| Molecular Formula | C18H17N5O3S2 |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.07727 |
| Heavy Atoms | 28 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 311788-93-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=NN=C(S2)C3=CC=CC=C3)C |
| InChIKey | QXDPAJWDAGFBQJ-UHFFFAOYSA-N |
Product Overview
BAS 02104794 (CAS 311788-93-9), with molecular formula C18H17N5O3S2 and molecular weight 415.08 g/mol. IUPAC: [2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate.
Chemical Property Profile of BAS 02104794
Property Insights of BAS 02104794
The XLogP value of 3.1 indicates that BAS 02104794 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting BAS 02104794 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 02104794 has 1 hydrogen bond donor(s) and 9 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 02104794?
The CAS number of BAS 02104794 is 311788-93-9.
What is the molecular formula of BAS 02104794?
The molecular formula of BAS 02104794 is C18H17N5O3S2.
What is the molecular weight of BAS 02104794?
The molecular weight of BAS 02104794 is 415.08 g/mol.
Where can I buy BAS 02104794?
You can request a quote for BAS 02104794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02104794?
Yes, KEHONG BIO provides custom synthesis services for BAS 02104794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.