AS-871/42811096
TL;DR: AS-871/42811096 (CAS 708992-75-0) is a chemical compound with molecular formula C20H13N5O3S and molecular weight 403.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-[5-(3-nitrophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: AS-871/42811096, 3-benzyl-6-[5-(3-nitrophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-benzyl-6-(5-{3-nitrophenyl}-2-furyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-benzyl-6-[5-(3-nitrophenyl)furan-2-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[5-(3-nitrophenyl)(2-furyl)]-3-benzyl-1,2,4-triazolo[3,4-b]1,3,4-thiadiazoli ne
| Molecular Formula | C20H13N5O3S |
|---|---|
| Molecular Weight | 403.07 g/mol |
| LogP | 4.6118 |
| Topological Polar Surface Area | 99.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.0739 |
| Heavy Atoms | 29 |
| Complexity | 1322.4222 |
Chemical Identifiers
| CAS Number | 708992-75-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
AS-871/42811096 (CAS 708992-75-0), with molecular formula C20H13N5O3S and molecular weight 403.07 g/mol. IUPAC: 3-benzyl-6-[5-(3-nitrophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of AS-871/42811096
Property Insights of AS-871/42811096
The XLogP value of 4.6118 indicates that AS-871/42811096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42811096. Following Lipinski's Rule of Five, AS-871/42811096 has 0 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 AS-871/42811096?
The CAS number of AS-871/42811096 is 708992-75-0.
What is the molecular formula of AS-871/42811096?
The molecular formula of AS-871/42811096 is C20H13N5O3S.
What is the molecular weight of AS-871/42811096?
The molecular weight of AS-871/42811096 is 403.07 g/mol.
Where can I buy AS-871/42811096?
You can request a quote for AS-871/42811096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42811096?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42811096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.