A1000/0046799
TL;DR: A1000/0046799 (CAS 339261-90-4) is a chemical compound with molecular formula C22H15BrCl2N2O4 and molecular weight 519.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Also Known As: A1000/0046799, 4-((E)-{2-[2-(2,4-dichlorophenoxy)acetyl]hydrazono}methyl)phenyl 2-bromobenzoate, 4-[(E)-{[2-(2,4-DICHLOROPHENOXY)ACETAMIDO]IMINO}METHYL]PHENYL 2-BROMOBENZOATE, 4-[(E)-{2-[(2,4-dichlorophenoxy)acetyl]hydrazinylidene}methyl]phenyl 2-bromobenzoate
| Molecular Formula | C22H15BrCl2N2O4 |
|---|---|
| Molecular Weight | 519.96 g/mol |
| LogP | 5.5042 |
| Topological Polar Surface Area | 76.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.9592 |
| Heavy Atoms | 31 |
| Complexity | 1120.7487 |
Chemical Identifiers
| CAS Number | 339261-90-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=C(C=C(C=C3)Cl)Cl)Br |
Product Overview
A1000/0046799 (CAS 339261-90-4), with molecular formula C22H15BrCl2N2O4 and molecular weight 519.96 g/mol. IUPAC: [4-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate.
Chemical Property Profile of A1000/0046799
Property Insights of A1000/0046799
The XLogP value of 5.5042 indicates that A1000/0046799 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.99 Ų falls within the moderate polarity range, balancing permeability and solubility for A1000/0046799. Following Lipinski's Rule of Five, A1000/0046799 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1000/0046799?
The CAS number of A1000/0046799 is 339261-90-4.
What is the molecular formula of A1000/0046799?
The molecular formula of A1000/0046799 is C22H15BrCl2N2O4.
What is the molecular weight of A1000/0046799?
The molecular weight of A1000/0046799 is 519.96 g/mol.
Where can I buy A1000/0046799?
You can request a quote for A1000/0046799 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1000/0046799?
Yes, KEHONG BIO provides custom synthesis services for A1000/0046799 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.