A1112/0052293
TL;DR: A1112/0052293 (CAS 339299-52-4) is a chemical compound with molecular formula C23H18BrN3O7 and molecular weight 527.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Also Known As: A1112/0052293, 2-methoxy-4-((E)-{[(2-nitrophenoxy)acetyl]hydrazono}methyl)phenyl 3-bromobenzoate, 2-METHOXY-4-[(E)-{[2-(2-NITROPHENOXY)ACETAMIDO]IMINO}METHYL]PHENYL 3-BROMOBENZOATE, 2-methoxy-4-[(E)-{2-[(2-nitrophenoxy)acetyl]hydrazinylidene}methyl]phenyl 3-bromobenzoate
| Molecular Formula | C23H18BrN3O7 |
|---|---|
| Molecular Weight | 527.03 g/mol |
| LogP | 4.1142 |
| Topological Polar Surface Area | 129.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 527.03284 |
| Heavy Atoms | 34 |
| Complexity | 1246.7383 |
Chemical Identifiers
| CAS Number | 339299-52-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)Br |
Product Overview
A1112/0052293 (CAS 339299-52-4), with molecular formula C23H18BrN3O7 and molecular weight 527.03 g/mol. IUPAC: [2-methoxy-4-[(E)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate.
Chemical Property Profile of A1112/0052293
Property Insights of A1112/0052293
The XLogP value of 4.1142 indicates that A1112/0052293 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.36 Ų falls within the moderate polarity range, balancing permeability and solubility for A1112/0052293. Following Lipinski's Rule of Five, A1112/0052293 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1112/0052293?
The CAS number of A1112/0052293 is 339299-52-4.
What is the molecular formula of A1112/0052293?
The molecular formula of A1112/0052293 is C23H18BrN3O7.
What is the molecular weight of A1112/0052293?
The molecular weight of A1112/0052293 is 527.03 g/mol.
Where can I buy A1112/0052293?
You can request a quote for A1112/0052293 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1112/0052293?
Yes, KEHONG BIO provides custom synthesis services for A1112/0052293 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.