RefChem:509790
TL;DR: RefChem:509790 (CAS 477728-82-8) is a chemical compound with molecular formula C26H22ClN3O5 and molecular weight 491.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Also Known As: 4-((E)-{[(3-CHLORO-2-METHYLANILINO)(OXO)ACETYL]HYDRAZONO}METHYL)-2-METHOXYPHENYL (2E)-3-PHENYL-2-PROPENOATE, 4-((E)-(((3-Chloro-2-methylanilino)(oxo)acetyl)hydrazono)methyl)-2-methoxyphenyl (2E)-3-phenyl-2-propenoate, 646-450-7, RefChem:509790
| Molecular Formula | C26H22ClN3O5 |
|---|---|
| Molecular Weight | 491.12 g/mol |
| LogP | 4.36462 |
| Topological Polar Surface Area | 106.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.1248 |
| Heavy Atoms | 35 |
| Complexity | 1289.3997 |
Chemical Identifiers
| CAS Number | 477728-82-8 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)OC |
Product Overview
RefChem:509790 (CAS 477728-82-8), with molecular formula C26H22ClN3O5 and molecular weight 491.12 g/mol. IUPAC: [4-[(E)-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of RefChem:509790
Property Insights of RefChem:509790
The XLogP value of 4.36462 indicates that RefChem:509790 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:509790. Following Lipinski's Rule of Five, RefChem:509790 has 2 hydrogen bond donor(s) and 6 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 RefChem:509790?
The CAS number of RefChem:509790 is 477728-82-8.
What is the molecular formula of RefChem:509790?
The molecular formula of RefChem:509790 is C26H22ClN3O5.
What is the molecular weight of RefChem:509790?
The molecular weight of RefChem:509790 is 491.12 g/mol.
Where can I buy RefChem:509790?
You can request a quote for RefChem:509790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:509790?
Yes, KEHONG BIO provides custom synthesis services for RefChem:509790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.