AB00678839-01
TL;DR: AB00678839-01 (CAS 891119-75-8) is a chemical compound with molecular formula C20H18ClN3O5 and molecular weight 415.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-chlorophenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
Also Known As: AB00678839-01, F2517-0053, (2E)-3-(2-chlorophenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide, (E)-3-(2-chlorophenyl)-N-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)acrylamide, (E)-3-(2-chlorophenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
| Molecular Formula | C20H18ClN3O5 |
|---|---|
| Molecular Weight | 415.09 g/mol |
| LogP | 4.0677 |
| Topological Polar Surface Area | 95.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.0935 |
| Heavy Atoms | 29 |
| Complexity | 1023.096 |
Chemical Identifiers
| CAS Number | 891119-75-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)NC(=O)/C=C/C3=CC=CC=C3Cl |
Product Overview
AB00678839-01 (CAS 891119-75-8), with molecular formula C20H18ClN3O5 and molecular weight 415.09 g/mol. IUPAC: (E)-3-(2-chlorophenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide.
Chemical Property Profile of AB00678839-01
Property Insights of AB00678839-01
The XLogP value of 4.0677 indicates that AB00678839-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678839-01. Following Lipinski's Rule of Five, AB00678839-01 has 1 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 AB00678839-01?
The CAS number of AB00678839-01 is 891119-75-8.
What is the molecular formula of AB00678839-01?
The molecular formula of AB00678839-01 is C20H18ClN3O5.
What is the molecular weight of AB00678839-01?
The molecular weight of AB00678839-01 is 415.09 g/mol.
Where can I buy AB00678839-01?
You can request a quote for AB00678839-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678839-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678839-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.