AB00688308-01
TL;DR: AB00688308-01 (CAS 886913-91-3) is a chemical compound with molecular formula C16H13N3O2S2 and molecular weight 343.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
Also Known As: AB00688308-01, F2645-0206, (2E)-N-{5-[3-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}-3-(thiophen-2-yl)prop-2-enamide, (E)-N-(5-(3-(methylthio)phenyl)-1,3,4-oxadiazol-2-yl)-3-(thiophen-2-yl)acrylamide, (E)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
| Molecular Formula | C16H13N3O2S2 |
|---|---|
| Molecular Weight | 343.04 g/mol |
| LogP | 4.1719 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.04492 |
| Heavy Atoms | 23 |
| Complexity | 825.48517 |
Chemical Identifiers
| CAS Number | 886913-91-3 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)C2=NN=C(O2)NC(=O)/C=C/C3=CC=CS3 |
Product Overview
AB00688308-01 (CAS 886913-91-3), with molecular formula C16H13N3O2S2 and molecular weight 343.04 g/mol. IUPAC: (E)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.
Chemical Property Profile of AB00688308-01
Property Insights of AB00688308-01
The XLogP value of 4.1719 indicates that AB00688308-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00688308-01. Following Lipinski's Rule of Five, AB00688308-01 has 1 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 AB00688308-01?
The CAS number of AB00688308-01 is 886913-91-3.
What is the molecular formula of AB00688308-01?
The molecular formula of AB00688308-01 is C16H13N3O2S2.
What is the molecular weight of AB00688308-01?
The molecular weight of AB00688308-01 is 343.04 g/mol.
Where can I buy AB00688308-01?
You can request a quote for AB00688308-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00688308-01?
Yes, KEHONG BIO provides custom synthesis services for AB00688308-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.