AB00669999-01
TL;DR: AB00669999-01 (CAS 851969-27-2) is a chemical compound with molecular formula C21H20N6O5S and molecular weight 468.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-nitrophenyl)methyl]piperazin-1-yl]methanone
Also Known As: AB00669999-01, F0631-0294, 5-{[4-(furan-2-carbonyl)piperazin-1-yl](4-nitrophenyl)methyl}-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, furan-2-yl(4-((6-hydroxy-2-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)(4-nitrophenyl)methyl)piperazin-1-yl)methanone, furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-nitrophenyl)methyl]piperazin-1-yl]methanone
| Molecular Formula | C21H20N6O5S |
|---|---|
| Molecular Weight | 468.12 g/mol |
| LogP | 2.85342 |
| Topological Polar Surface Area | 130.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.12158 |
| Heavy Atoms | 33 |
| Complexity | 1305.13 |
Chemical Identifiers
| CAS Number | 851969-27-2 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C(=O)C5=CC=CO5)O |
Product Overview
AB00669999-01 (CAS 851969-27-2), with molecular formula C21H20N6O5S and molecular weight 468.12 g/mol. IUPAC: furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-nitrophenyl)methyl]piperazin-1-yl]methanone.
Chemical Property Profile of AB00669999-01
Property Insights of AB00669999-01
The XLogP value of 2.85342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00669999-01. The TPSA of 130.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00669999-01. Following Lipinski's Rule of Five, AB00669999-01 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 AB00669999-01?
The CAS number of AB00669999-01 is 851969-27-2.
What is the molecular formula of AB00669999-01?
The molecular formula of AB00669999-01 is C21H20N6O5S.
What is the molecular weight of AB00669999-01?
The molecular weight of AB00669999-01 is 468.12 g/mol.
Where can I buy AB00669999-01?
You can request a quote for AB00669999-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00669999-01?
Yes, KEHONG BIO provides custom synthesis services for AB00669999-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.