A0566/0026121
TL;DR: A0566/0026121 (CAS 1164488-80-5) is a chemical compound with molecular formula C22H16Cl2N2O and molecular weight 394.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7E)-2-amino-4-(2-chlorophenyl)-7-[(2-chlorophenyl)methylidene]-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile
Also Known As: A0566/0026121, (7E)-2-AMINO-4-(2-CHLOROPHENYL)-7-[(2-CHLOROPHENYL)METHYLIDENE]-4H,5H,6H,7H-CYCLOPENTA[B]PYRAN-3-CARBONITRILE, (7E)-2-amino-4-(2-chlorophenyl)-7-[(2-chlorophenyl)methylidene]-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile, (7E)-2-amino-7-(2-chlorobenzylidene)-4-(2-chlorophenyl)-4,5,6,7-tetrahydrocyclopenta[b]pyran-3-carbonitrile, (E)-2-amino-7-(2-chlorobenzylidene)-4-(2-chlorophenyl)-4,5,6,7-tetrahydrocyclopenta[b]pyran-3-carbonitrile
| Molecular Formula | C22H16Cl2N2O |
|---|---|
| Molecular Weight | 394.06 g/mol |
| LogP | 5.93258 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.06396 |
| Heavy Atoms | 27 |
| Complexity | 1059.9777 |
Chemical Identifiers
| CAS Number | 1164488-80-5 |
|---|---|
| SMILES | C\1CC2=C(/C1=C/C3=CC=CC=C3Cl)OC(=C(C2C4=CC=CC=C4Cl)C#N)N |
Product Overview
A0566/0026121 (CAS 1164488-80-5), with molecular formula C22H16Cl2N2O and molecular weight 394.06 g/mol. IUPAC: (7E)-2-amino-4-(2-chlorophenyl)-7-[(2-chlorophenyl)methylidene]-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile.
Chemical Property Profile of A0566/0026121
Property Insights of A0566/0026121
The XLogP value of 5.93258 indicates that A0566/0026121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.04 Ų, A0566/0026121 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A0566/0026121 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0566/0026121?
The CAS number of A0566/0026121 is 1164488-80-5.
What is the molecular formula of A0566/0026121?
The molecular formula of A0566/0026121 is C22H16Cl2N2O.
What is the molecular weight of A0566/0026121?
The molecular weight of A0566/0026121 is 394.06 g/mol.
Where can I buy A0566/0026121?
You can request a quote for A0566/0026121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0566/0026121?
Yes, KEHONG BIO provides custom synthesis services for A0566/0026121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.