AB0022A
TL;DR: AB0022A (CAS 221652-94-4) is a chemical compound with molecular formula C20H19Cl3O6 and molecular weight 460.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,6,8-trichloro-1,9-dihydroxy-3,7-dimethoxydibenzofuran-2-yl)hexan-1-one
Also Known As: AB0022A, AB-0022A, AB 0022A, J1.435.357G, 2-Hexanoyl-3,7-dimethoxy-4,6,8-trichlorodibenzofuran-1,9-diol
| Molecular Formula | C20H19Cl3O6 |
|---|---|
| Molecular Weight | 460.02 g/mol |
| LogP | 6.7376 |
| Topological Polar Surface Area | 89.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.02472 |
| Heavy Atoms | 29 |
| Complexity | 1119.521 |
Chemical Identifiers
| CAS Number | 221652-94-4 |
|---|---|
| SMILES | CCCCCC(=O)C1=C(C(=C2C(=C1O)C3=C(C(=C(C(=C3O2)Cl)OC)Cl)O)Cl)OC |
Product Overview
AB0022A (CAS 221652-94-4), with molecular formula C20H19Cl3O6 and molecular weight 460.02 g/mol. IUPAC: 1-(4,6,8-trichloro-1,9-dihydroxy-3,7-dimethoxydibenzofuran-2-yl)hexan-1-one.
Chemical Property Profile of AB0022A
Property Insights of AB0022A
The XLogP value of 6.7376 indicates that AB0022A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AB0022A. Following Lipinski's Rule of Five, AB0022A has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB0022A?
The CAS number of AB0022A is 221652-94-4.
What is the molecular formula of AB0022A?
The molecular formula of AB0022A is C20H19Cl3O6.
What is the molecular weight of AB0022A?
The molecular weight of AB0022A is 460.02 g/mol.
Where can I buy AB0022A?
You can request a quote for AB0022A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB0022A?
Yes, KEHONG BIO provides custom synthesis services for AB0022A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.