RefChem:1056430
TL;DR: RefChem:1056430 (CAS 67041-17-2) is a chemical compound with molecular formula C21H25BrN4O3 and molecular weight 460.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
Also Known As: 4-(m-Tolyl)-1-piperazineacetic acid ((3-bromo-5-hydroxy-4-methoxyphenyl)methylene)hydrazide, 1-Piperazineacetic acid, 4-(3-methylphenyl)-, ((3-bromo-5-hydroxy-4-methoxyphenyl)methylene) hydrazide, RefChem:1056430, BRN 0860141
| Molecular Formula | C21H25BrN4O3 |
|---|---|
| Molecular Weight | 460.11 g/mol |
| LogP | 2.74402 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.111 |
| Heavy Atoms | 29 |
| Complexity | 872.2401 |
Chemical Identifiers
| CAS Number | 67041-17-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)N/N=C/C3=CC(=C(C(=C3)Br)OC)O |
Product Overview
RefChem:1056430 (CAS 67041-17-2), with molecular formula C21H25BrN4O3 and molecular weight 460.11 g/mol. IUPAC: N-[(E)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide.
Chemical Property Profile of RefChem:1056430
Property Insights of RefChem:1056430
The XLogP value of 2.74402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056430. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056430. Following Lipinski's Rule of Five, RefChem:1056430 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:1056430?
The CAS number of RefChem:1056430 is 67041-17-2.
What is the molecular formula of RefChem:1056430?
The molecular formula of RefChem:1056430 is C21H25BrN4O3.
What is the molecular weight of RefChem:1056430?
The molecular weight of RefChem:1056430 is 460.11 g/mol.
Where can I buy RefChem:1056430?
You can request a quote for RefChem:1056430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056430?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.