A0896/0042054
TL;DR: A0896/0042054 (CAS 340690-60-0) is a chemical compound with molecular formula C28H18Cl2N2O4 and molecular weight 516.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dichlorophenyl) 4-[[4-hydroxy-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]benzoate
Also Known As: A0896/0042054, 2,5-dichlorophenyl 4-({[4-hydroxy-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)benzoate, 2,5-dichlorophenyl 4-[(E)-{[4-hydroxy-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]benzoate, (2,5-dichlorophenyl) 4-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]iminomethyl]benzoate, (2,5-dichlorophenyl) 4-[[3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]iminomethyl]benzoate
| Molecular Formula | C28H18Cl2N2O4 |
|---|---|
| Molecular Weight | 516.06 g/mol |
| LogP | 7.78542 |
| Topological Polar Surface Area | 84.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.0644 |
| Heavy Atoms | 36 |
| Complexity | 1625.2555 |
Chemical Identifiers
| CAS Number | 340690-60-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)N=CC4=CC=C(C=C4)C(=O)OC5=C(C=CC(=C5)Cl)Cl)O |
Product Overview
A0896/0042054 (CAS 340690-60-0), with molecular formula C28H18Cl2N2O4 and molecular weight 516.06 g/mol. IUPAC: (2,5-dichlorophenyl) 4-[[4-hydroxy-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]benzoate.
Chemical Property Profile of A0896/0042054
Property Insights of A0896/0042054
The XLogP value of 7.78542 indicates that A0896/0042054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.92 Ų falls within the moderate polarity range, balancing permeability and solubility for A0896/0042054. Following Lipinski's Rule of Five, A0896/0042054 has 1 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 A0896/0042054?
The CAS number of A0896/0042054 is 340690-60-0.
What is the molecular formula of A0896/0042054?
The molecular formula of A0896/0042054 is C28H18Cl2N2O4.
What is the molecular weight of A0896/0042054?
The molecular weight of A0896/0042054 is 516.06 g/mol.
Where can I buy A0896/0042054?
You can request a quote for A0896/0042054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0896/0042054?
Yes, KEHONG BIO provides custom synthesis services for A0896/0042054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.