AB00668994-01
TL;DR: AB00668994-01 (CAS 851094-54-7) is a chemical compound with molecular formula C19H14N4O6 and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Also Known As: AB00668994-01, F0608-0032, (2E)-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide, (E)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1,3,4-oxadiazol-2-yl)-3-(3-nitrophenyl)acrylamide, (E)-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
| Molecular Formula | C19H14N4O6 |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 3.0679 |
| Topological Polar Surface Area | 129.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.09134 |
| Heavy Atoms | 29 |
| Complexity | 1107.5837 |
Chemical Identifiers
| CAS Number | 851094-54-7 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C3=NN=C(O3)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
AB00668994-01 (CAS 851094-54-7), with molecular formula C19H14N4O6 and molecular weight 394.09 g/mol. IUPAC: (E)-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of AB00668994-01
Property Insights of AB00668994-01
The XLogP value of 3.0679 indicates that AB00668994-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668994-01. Following Lipinski's Rule of Five, AB00668994-01 has 1 hydrogen bond donor(s) and 8 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 AB00668994-01?
The CAS number of AB00668994-01 is 851094-54-7.
What is the molecular formula of AB00668994-01?
The molecular formula of AB00668994-01 is C19H14N4O6.
What is the molecular weight of AB00668994-01?
The molecular weight of AB00668994-01 is 394.09 g/mol.
Where can I buy AB00668994-01?
You can request a quote for AB00668994-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668994-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668994-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.