AB00669128-01
TL;DR: AB00669128-01 (CAS 862809-26-5) is a chemical compound with molecular formula C21H16N4O4S and molecular weight 420.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
Also Known As: AB00669128-01, 5-nitro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide, F0608-0590, 5-nitro-N-(5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl)benzo[b]thiophene-2-carboxamide, 5-nitro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzothiophene-2-carboxamide
| Molecular Formula | C21H16N4O4S |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 4.9906 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.08923 |
| Heavy Atoms | 30 |
| Complexity | 1293.4011 |
Chemical Identifiers
| CAS Number | 862809-26-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CC(=C2)C3=NN=C(O3)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-] |
Product Overview
AB00669128-01 (CAS 862809-26-5), with molecular formula C21H16N4O4S and molecular weight 420.09 g/mol. IUPAC: 5-nitro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of AB00669128-01
Property Insights of AB00669128-01
The XLogP value of 4.9906 indicates that AB00669128-01 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 AB00669128-01. Following Lipinski's Rule of Five, AB00669128-01 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 AB00669128-01?
The CAS number of AB00669128-01 is 862809-26-5.
What is the molecular formula of AB00669128-01?
The molecular formula of AB00669128-01 is C21H16N4O4S.
What is the molecular weight of AB00669128-01?
The molecular weight of AB00669128-01 is 420.09 g/mol.
Where can I buy AB00669128-01?
You can request a quote for AB00669128-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00669128-01?
Yes, KEHONG BIO provides custom synthesis services for AB00669128-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.