AB00675931-01
TL;DR: AB00675931-01 (CAS 868221-00-5) is a chemical compound with molecular formula C20H21N5OS2 and molecular weight 411.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-benzylpiperazin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: AB00675931-01, F1805-0319, 5-[(4-benzylpiperazin-1-yl)(thiophen-2-yl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-((4-benzylpiperazin-1-yl)(thiophen-2-yl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(4-benzylpiperazin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C20H21N5OS2 |
|---|---|
| Molecular Weight | 411.12 g/mol |
| LogP | 3.4651 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.11874 |
| Heavy Atoms | 28 |
| Complexity | 1035.3809 |
Chemical Identifiers
| CAS Number | 868221-00-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(C3=CC=CS3)C4=C(N5C(=NC=N5)S4)O |
Product Overview
AB00675931-01 (CAS 868221-00-5), with molecular formula C20H21N5OS2 and molecular weight 411.12 g/mol. IUPAC: 5-[(4-benzylpiperazin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of AB00675931-01
Property Insights of AB00675931-01
The XLogP value of 3.4651 indicates that AB00675931-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, AB00675931-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00675931-01 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 AB00675931-01?
The CAS number of AB00675931-01 is 868221-00-5.
What is the molecular formula of AB00675931-01?
The molecular formula of AB00675931-01 is C20H21N5OS2.
What is the molecular weight of AB00675931-01?
The molecular weight of AB00675931-01 is 411.12 g/mol.
Where can I buy AB00675931-01?
You can request a quote for AB00675931-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675931-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675931-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.