AB00669149-01
TL;DR: AB00669149-01 (CAS 887891-06-7) is a chemical compound with molecular formula C17H12N4O6S and molecular weight 400.05 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-3-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
Also Known As: AB00669149-01, F0608-0789, (E)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-1,3,4-oxadiazol-2-yl)-3-(5-nitrothiophen-2-yl)acrylamide, (E)-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
| Molecular Formula | C17H12N4O6S |
|---|---|
| Molecular Weight | 400.05 g/mol |
| LogP | 3.2037 |
| Topological Polar Surface Area | 129.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.04776 |
| Heavy Atoms | 28 |
| Complexity | 1059.3622 |
Chemical Identifiers
| CAS Number | 887891-06-7 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)C3=NN=C(O3)NC(=O)/C=C/C4=CC=C(S4)[N+](=O)[O-] |
Product Overview
AB00669149-01 (CAS 887891-06-7), with molecular formula C17H12N4O6S and molecular weight 400.05 g/mol. IUPAC: (E)-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide.
Chemical Property Profile of AB00669149-01
Property Insights of AB00669149-01
The XLogP value of 3.2037 indicates that AB00669149-01 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 AB00669149-01. Following Lipinski's Rule of Five, AB00669149-01 has 1 hydrogen bond donor(s) and 9 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 AB00669149-01?
The CAS number of AB00669149-01 is 887891-06-7.
What is the molecular formula of AB00669149-01?
The molecular formula of AB00669149-01 is C17H12N4O6S.
What is the molecular weight of AB00669149-01?
The molecular weight of AB00669149-01 is 400.05 g/mol.
Where can I buy AB00669149-01?
You can request a quote for AB00669149-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00669149-01?
Yes, KEHONG BIO provides custom synthesis services for AB00669149-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.