RefChem:1056454
TL;DR: RefChem:1056454 (CAS 67041-05-8) is a chemical compound with molecular formula C20H23BrN4O3 and molecular weight 446.10 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-phenylpiperazin-1-yl)acetamide
Also Known As: 1-Piperazineacetic acid, 4-phenyl-, ((3-bromo-5-hydroxy-4-methoxyphenyl)methylene)hydrazide, 4-Phenyl-1-piperazineacetic acid ((3-bromo-5-hydroxy-4-methoxyphenyl)methylene)hydrazide, RefChem:1056454, BRN 0858826
| Molecular Formula | C20H23BrN4O3 |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 2.4356 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.09534 |
| Heavy Atoms | 28 |
| Complexity | 813.5945 |
Chemical Identifiers
| CAS Number | 67041-05-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Br)/C=N/NC(=O)CN2CCN(CC2)C3=CC=CC=C3)O |
Product Overview
RefChem:1056454 (CAS 67041-05-8), with molecular formula C20H23BrN4O3 and molecular weight 446.10 g/mol. IUPAC: N-[(E)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-phenylpiperazin-1-yl)acetamide.
Chemical Property Profile of RefChem:1056454
Property Insights of RefChem:1056454
The XLogP value of 2.4356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056454. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056454. Following Lipinski's Rule of Five, RefChem:1056454 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:1056454?
The CAS number of RefChem:1056454 is 67041-05-8.
What is the molecular formula of RefChem:1056454?
The molecular formula of RefChem:1056454 is C20H23BrN4O3.
What is the molecular weight of RefChem:1056454?
The molecular weight of RefChem:1056454 is 446.10 g/mol.
Where can I buy RefChem:1056454?
You can request a quote for RefChem:1056454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056454?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.