AB00686857-01
TL;DR: AB00686857-01 (CAS 869078-40-0) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-benzylidene-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-one
Also Known As: AB00686857-01, F1860-0424, (Z)-2-benzylidene-6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)benzofuran-3(2H)-one, (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-(phenylmethylidene)-2,3-dihydro-1-benzofuran-3-one, (2Z)-2-benzylidene-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-one
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 2.7558 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 853.05994 |
Chemical Identifiers
| CAS Number | 869078-40-0 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CC=C4)/C3=O)O |
Product Overview
AB00686857-01 (CAS 869078-40-0), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: (2Z)-2-benzylidene-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-one.
Chemical Property Profile of AB00686857-01
Property Insights of AB00686857-01
The XLogP value of 2.7558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686857-01. With a topological polar surface area (TPSA) of 53.01 Ų, AB00686857-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00686857-01 has 1 hydrogen bond donor(s) and 5 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 AB00686857-01?
The CAS number of AB00686857-01 is 869078-40-0.
What is the molecular formula of AB00686857-01?
The molecular formula of AB00686857-01 is C21H22N2O3.
What is the molecular weight of AB00686857-01?
The molecular weight of AB00686857-01 is 350.16 g/mol.
Where can I buy AB00686857-01?
You can request a quote for AB00686857-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686857-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686857-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.