AB00669972-01
TL;DR: AB00669972-01 (CAS 851809-79-5) is a chemical compound with molecular formula C21H20BrN5O3S and molecular weight 501.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-bromophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
Also Known As: AB00669972-01, F0631-0114, (4-((4-bromophenyl)(6-hydroxy-2-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)piperazin-1-yl)(furan-2-yl)methanone, 5-[(4-bromophenyl)[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, [4-[(4-bromophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
| Molecular Formula | C21H20BrN5O3S |
|---|---|
| Molecular Weight | 501.05 g/mol |
| LogP | 3.70772 |
| Topological Polar Surface Area | 87.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.04703 |
| Heavy Atoms | 31 |
| Complexity | 1210.0942 |
Chemical Identifiers
| CAS Number | 851809-79-5 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)Br)N4CCN(CC4)C(=O)C5=CC=CO5)O |
Product Overview
AB00669972-01 (CAS 851809-79-5), with molecular formula C21H20BrN5O3S and molecular weight 501.05 g/mol. IUPAC: [4-[(4-bromophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone.
Chemical Property Profile of AB00669972-01
Property Insights of AB00669972-01
The XLogP value of 3.70772 indicates that AB00669972-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00669972-01. Following Lipinski's Rule of Five, AB00669972-01 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00669972-01?
The CAS number of AB00669972-01 is 851809-79-5.
What is the molecular formula of AB00669972-01?
The molecular formula of AB00669972-01 is C21H20BrN5O3S.
What is the molecular weight of AB00669972-01?
The molecular weight of AB00669972-01 is 501.05 g/mol.
Where can I buy AB00669972-01?
You can request a quote for AB00669972-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00669972-01?
Yes, KEHONG BIO provides custom synthesis services for AB00669972-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.