AB00669121-01
TL;DR: AB00669121-01 (CAS 851095-79-9) is a chemical compound with molecular formula C21H18N4O4 and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-nitrophenyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
Also Known As: AB00669121-01, F0608-0568, (2E)-3-(3-nitrophenyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide, (E)-3-(3-nitrophenyl)-N-(5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl)acrylamide, (E)-3-(3-nitrophenyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
| Molecular Formula | C21H18N4O4 |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 4.1755 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.1328 |
| Heavy Atoms | 29 |
| Complexity | 1103.5654 |
Chemical Identifiers
| CAS Number | 851095-79-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CC(=C2)C3=NN=C(O3)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
AB00669121-01 (CAS 851095-79-9), with molecular formula C21H18N4O4 and molecular weight 390.13 g/mol. IUPAC: (E)-3-(3-nitrophenyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide.
Chemical Property Profile of AB00669121-01
Property Insights of AB00669121-01
The XLogP value of 4.1755 indicates that AB00669121-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00669121-01. Following Lipinski's Rule of Five, AB00669121-01 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 AB00669121-01?
The CAS number of AB00669121-01 is 851095-79-9.
What is the molecular formula of AB00669121-01?
The molecular formula of AB00669121-01 is C21H18N4O4.
What is the molecular weight of AB00669121-01?
The molecular weight of AB00669121-01 is 390.13 g/mol.
Where can I buy AB00669121-01?
You can request a quote for AB00669121-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00669121-01?
Yes, KEHONG BIO provides custom synthesis services for AB00669121-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.