AB01321958-02
TL;DR: AB01321958-02 (CAS 622798-20-3) is a chemical compound with molecular formula C29H28O7 and molecular weight 488.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate
Also Known As: AB01321958-02, (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate, (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3,4,5-trimethoxybenzoate, [3-oxo-2-[(4-tert-butylphenyl)methylidene]benzofuran-6-yl] 3,4,5-trimethoxybenzoate, 2-{[4-(tert-butyl)phenyl]methylene}-3-oxobenzo[3,4-b]furan-6-yl 3,4,5-trimetho xybenzoate
| Molecular Formula | C29H28O7 |
|---|---|
| Molecular Weight | 488.18 g/mol |
| LogP | 5.8453 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.1835 |
| Heavy Atoms | 36 |
| Complexity | 1320.021 |
Chemical Identifiers
| CAS Number | 622798-20-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
AB01321958-02 (CAS 622798-20-3), with molecular formula C29H28O7 and molecular weight 488.18 g/mol. IUPAC: [(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of AB01321958-02
Property Insights of AB01321958-02
The XLogP value of 5.8453 indicates that AB01321958-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01321958-02. Following Lipinski's Rule of Five, AB01321958-02 has 0 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 AB01321958-02?
The CAS number of AB01321958-02 is 622798-20-3.
What is the molecular formula of AB01321958-02?
The molecular formula of AB01321958-02 is C29H28O7.
What is the molecular weight of AB01321958-02?
The molecular weight of AB01321958-02 is 488.18 g/mol.
Where can I buy AB01321958-02?
You can request a quote for AB01321958-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01321958-02?
Yes, KEHONG BIO provides custom synthesis services for AB01321958-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.