AB01322017-02
TL;DR: AB01322017-02 (CAS 622795-29-3) is a chemical compound with molecular formula C23H17NO6 and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 2,6-dimethoxybenzoate
Also Known As: AB01322017-02, (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2,6-dimethoxybenzoate, F3385-0582, (2Z)-3-oxo-2-[(pyridin-3-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 2,6-dimethoxybenzoate, (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate
| Molecular Formula | C23H17NO6 |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 3.9342 |
| Topological Polar Surface Area | 83.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.1056 |
| Heavy Atoms | 30 |
| Complexity | 1131.3599 |
Chemical Identifiers
| CAS Number | 622795-29-3 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CN=CC=C4)/O3 |
Product Overview
AB01322017-02 (CAS 622795-29-3), with molecular formula C23H17NO6 and molecular weight 403.11 g/mol. IUPAC: [(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 2,6-dimethoxybenzoate.
Chemical Property Profile of AB01322017-02
Property Insights of AB01322017-02
The XLogP value of 3.9342 indicates that AB01322017-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.95 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01322017-02. Following Lipinski's Rule of Five, AB01322017-02 has 0 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 AB01322017-02?
The CAS number of AB01322017-02 is 622795-29-3.
What is the molecular formula of AB01322017-02?
The molecular formula of AB01322017-02 is C23H17NO6.
What is the molecular weight of AB01322017-02?
The molecular weight of AB01322017-02 is 403.11 g/mol.
Where can I buy AB01322017-02?
You can request a quote for AB01322017-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01322017-02?
Yes, KEHONG BIO provides custom synthesis services for AB01322017-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.