AB00685780-01
TL;DR: AB00685780-01 (CAS 538336-91-3) is a chemical compound with molecular formula C16H11F2N3O3S and molecular weight 363.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(difluoromethoxy)phenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
Also Known As: AB00685780-01, F1252-1095, 1-(4-(difluoromethoxy)phenyl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone, 1-[4-(difluoromethoxy)phenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone, 1-[4-(difluoromethoxy)phenyl]-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
| Molecular Formula | C16H11F2N3O3S |
|---|---|
| Molecular Weight | 363.05 g/mol |
| LogP | 3.708 |
| Topological Polar Surface Area | 78.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.04892 |
| Heavy Atoms | 25 |
| Complexity | 841.346 |
Chemical Identifiers
| CAS Number | 538336-91-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)OC(F)F |
Product Overview
AB00685780-01 (CAS 538336-91-3), with molecular formula C16H11F2N3O3S and molecular weight 363.05 g/mol. IUPAC: 1-[4-(difluoromethoxy)phenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of AB00685780-01
Property Insights of AB00685780-01
The XLogP value of 3.708 indicates that AB00685780-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685780-01. Following Lipinski's Rule of Five, AB00685780-01 has 0 hydrogen bond donor(s) and 7 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 AB00685780-01?
The CAS number of AB00685780-01 is 538336-91-3.
What is the molecular formula of AB00685780-01?
The molecular formula of AB00685780-01 is C16H11F2N3O3S.
What is the molecular weight of AB00685780-01?
The molecular weight of AB00685780-01 is 363.05 g/mol.
Where can I buy AB00685780-01?
You can request a quote for AB00685780-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685780-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685780-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.