F0529-0680
TL;DR: F0529-0680 (CAS 476465-83-5) is a chemical compound with molecular formula C16H17N3O5S2 and molecular weight 395.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate
Also Known As: F0529-0680, ethyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate, ethyl 2-((5-(benzo[d][1,3]dioxole-5-carboxamido)-1,3,4-thiadiazol-2-yl)thio)butanoate, ethyl 2-{[5-(2H-1,3-benzodioxole-5-amido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate, ethyl 2-[5-(2H-1,3-benzodioxol-5-ylcarbonylamino)-1,3,4-thiadiazol-2-ylthio]butyrate
| Molecular Formula | C16H17N3O5S2 |
|---|---|
| Molecular Weight | 395.06 g/mol |
| LogP | 2.9529 |
| Topological Polar Surface Area | 99.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.06097 |
| Heavy Atoms | 26 |
| Complexity | 810.9329 |
Chemical Identifiers
| CAS Number | 476465-83-5 |
|---|---|
| SMILES | CCC(C(=O)OCC)SC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
F0529-0680 (CAS 476465-83-5), with molecular formula C16H17N3O5S2 and molecular weight 395.06 g/mol. IUPAC: ethyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate.
Chemical Property Profile of F0529-0680
Property Insights of F0529-0680
The XLogP value of 2.9529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0529-0680. The TPSA of 99.64 Ų falls within the moderate polarity range, balancing permeability and solubility for F0529-0680. Following Lipinski's Rule of Five, F0529-0680 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 F0529-0680?
The CAS number of F0529-0680 is 476465-83-5.
What is the molecular formula of F0529-0680?
The molecular formula of F0529-0680 is C16H17N3O5S2.
What is the molecular weight of F0529-0680?
The molecular weight of F0529-0680 is 395.06 g/mol.
Where can I buy F0529-0680?
You can request a quote for F0529-0680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0529-0680?
Yes, KEHONG BIO provides custom synthesis services for F0529-0680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.