AB00669971-01
TL;DR: AB00669971-01 (CAS 851809-71-7) is a chemical compound with molecular formula C18H22BrN5O2S and molecular weight 451.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: AB00669971-01, F0631-0106, 5-[(4-BROMOPHENYL)[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]METHYL]-2-METHYL-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-6-OL, 5-((4-bromophenyl)(4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(4-bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C18H22BrN5O2S |
|---|---|
| Molecular Weight | 451.07 g/mol |
| LogP | 2.26662 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.06775 |
| Heavy Atoms | 27 |
| Complexity | 917.8748 |
Chemical Identifiers
| CAS Number | 851809-71-7 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)Br)N4CCN(CC4)CCO)O |
Product Overview
AB00669971-01 (CAS 851809-71-7), with molecular formula C18H22BrN5O2S and molecular weight 451.07 g/mol. IUPAC: 5-[(4-bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of AB00669971-01
Property Insights of AB00669971-01
The XLogP value of 2.26662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00669971-01. The TPSA of 77.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00669971-01. Following Lipinski's Rule of Five, AB00669971-01 has 2 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 AB00669971-01?
The CAS number of AB00669971-01 is 851809-71-7.
What is the molecular formula of AB00669971-01?
The molecular formula of AB00669971-01 is C18H22BrN5O2S.
What is the molecular weight of AB00669971-01?
The molecular weight of AB00669971-01 is 451.07 g/mol.
Where can I buy AB00669971-01?
You can request a quote for AB00669971-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00669971-01?
Yes, KEHONG BIO provides custom synthesis services for AB00669971-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.