BAS 06400639
TL;DR: BAS 06400639 (CAS 477213-11-9) is a chemical compound with molecular formula C19H17FN4O2S2 and molecular weight 416.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
Also Known As: BAS 06400639, F0529-0910, N-(5-((2-((2-fluorophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide, N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide, N-(5-{[N-(2-fluorophenyl)carbamoyl]methylthio}(1,3,4-thiadiazol-2-yl))-3-pheny lpropanamide
| Molecular Formula | C19H17FN4O2S2 |
|---|---|
| Molecular Weight | 416.08 g/mol |
| LogP | 3.9793 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.0777 |
| Heavy Atoms | 28 |
| Complexity | 949.8714 |
Chemical Identifiers
| CAS Number | 477213-11-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3F |
Product Overview
BAS 06400639 (CAS 477213-11-9), with molecular formula C19H17FN4O2S2 and molecular weight 416.08 g/mol. IUPAC: N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide.
Chemical Property Profile of BAS 06400639
Property Insights of BAS 06400639
The XLogP value of 3.9793 indicates that BAS 06400639 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06400639. Following Lipinski's Rule of Five, BAS 06400639 has 2 hydrogen bond donor(s) and 6 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 06400639?
The CAS number of BAS 06400639 is 477213-11-9.
What is the molecular formula of BAS 06400639?
The molecular formula of BAS 06400639 is C19H17FN4O2S2.
What is the molecular weight of BAS 06400639?
The molecular weight of BAS 06400639 is 416.08 g/mol.
Where can I buy BAS 06400639?
You can request a quote for BAS 06400639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06400639?
Yes, KEHONG BIO provides custom synthesis services for BAS 06400639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.