RefChem:510995
TL;DR: RefChem:510995 (CAS 594853-51-7) is a chemical compound with molecular formula C23H16Cl3N3O5 and molecular weight 519.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
Also Known As: 4-(2-((2,3-DICHLOROANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 4-CHLOROBENZOATE, 668-759-6, RefChem:510995
| Molecular Formula | C23H16Cl3N3O5 |
|---|---|
| Molecular Weight | 519.02 g/mol |
| LogP | 4.9634 |
| Topological Polar Surface Area | 106.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.01556 |
| Heavy Atoms | 34 |
| Complexity | 1263.2056 |
Chemical Identifiers
| CAS Number | 594853-51-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=C(C(=CC=C2)Cl)Cl)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
RefChem:510995 (CAS 594853-51-7), with molecular formula C23H16Cl3N3O5 and molecular weight 519.02 g/mol. IUPAC: [4-[(E)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate.
Chemical Property Profile of RefChem:510995
Property Insights of RefChem:510995
The XLogP value of 4.9634 indicates that RefChem:510995 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:510995. Following Lipinski's Rule of Five, RefChem:510995 has 2 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 RefChem:510995?
The CAS number of RefChem:510995 is 594853-51-7.
What is the molecular formula of RefChem:510995?
The molecular formula of RefChem:510995 is C23H16Cl3N3O5.
What is the molecular weight of RefChem:510995?
The molecular weight of RefChem:510995 is 519.02 g/mol.
Where can I buy RefChem:510995?
You can request a quote for RefChem:510995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:510995?
Yes, KEHONG BIO provides custom synthesis services for RefChem:510995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.