A1307/0059442
TL;DR: A1307/0059442 (CAS 339322-33-7) is a chemical compound with molecular formula C23H18ClN3O6 and molecular weight 467.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(E)-[[2-(4-methyl-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Also Known As: A1307/0059442, 3-[(E)-{2-[(4-methyl-2-nitrophenoxy)acetyl]hydrazinylidene}methyl]phenyl 2-chlorobenzoate, 3-[(E)-{[2-(4-METHYL-2-NITROPHENOXY)ACETAMIDO]IMINO}METHYL]PHENYL 2-CHLOROBENZOATE
| Molecular Formula | C23H18ClN3O6 |
|---|---|
| Molecular Weight | 467.09 g/mol |
| LogP | 4.30492 |
| Topological Polar Surface Area | 120.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.0884 |
| Heavy Atoms | 33 |
| Complexity | 1228.3235 |
Chemical Identifiers
| CAS Number | 339322-33-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3Cl)[N+](=O)[O-] |
Product Overview
A1307/0059442 (CAS 339322-33-7), with molecular formula C23H18ClN3O6 and molecular weight 467.09 g/mol. IUPAC: [3-[(E)-[[2-(4-methyl-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate.
Chemical Property Profile of A1307/0059442
Property Insights of A1307/0059442
The XLogP value of 4.30492 indicates that A1307/0059442 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.13 Ų falls within the moderate polarity range, balancing permeability and solubility for A1307/0059442. Following Lipinski's Rule of Five, A1307/0059442 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1307/0059442?
The CAS number of A1307/0059442 is 339322-33-7.
What is the molecular formula of A1307/0059442?
The molecular formula of A1307/0059442 is C23H18ClN3O6.
What is the molecular weight of A1307/0059442?
The molecular weight of A1307/0059442 is 467.09 g/mol.
Where can I buy A1307/0059442?
You can request a quote for A1307/0059442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1307/0059442?
Yes, KEHONG BIO provides custom synthesis services for A1307/0059442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.