Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy-
TL;DR: Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy- (CAS 56266-58-1) is a chemical compound with molecular formula C15H22Br2N2O2 and molecular weight 420.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[[bis(2-bromoethyl)amino]methyl]-4-ethoxyphenyl]acetamide
Also Known As: 3'-[[Bis amino]methyl]-4'-ethoxyacetanilide, 3'-((Bis(2-bromoethyl)amino)methyl)-4'-ethoxyacetanilide, ACETANILIDE, 3'-((BIS(2-BROMOETHYL)AMINO)METHYL)-4'-ETHOXY-, 3-Bis(2-bromoethyl)aminomethyl-4-ethoxy-acetamidobenzene, N-[3-[[bis(2-bromoethyl)amino]methyl]-4-ethoxyphenyl]acetamide
| Molecular Formula | C15H22Br2N2O2 |
|---|---|
| Molecular Weight | 420.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 422.00275 |
| Heavy Atoms | 21 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 56266-58-1 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)NC(=O)C)CN(CCBr)CCBr |
| InChIKey | NORHZSMKLTXYEU-UHFFFAOYSA-N |
Product Overview
Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy- (CAS 56266-58-1), with molecular formula C15H22Br2N2O2 and molecular weight 420.00 g/mol. IUPAC: N-[3-[[bis(2-bromoethyl)amino]methyl]-4-ethoxyphenyl]acetamide.
Chemical Property Profile of Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy-
Property Insights of Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy-. With a topological polar surface area (TPSA) of 41.6 Ų, Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy- has 1 hydrogen bond donor(s) and 3 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 Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy-?
The CAS number of Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy- is 56266-58-1.
What is the molecular formula of Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy-?
The molecular formula of Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy- is C15H22Br2N2O2.
What is the molecular weight of Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy-?
The molecular weight of Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy- is 420.00 g/mol.
Where can I buy Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy-?
You can request a quote for Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy-?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, 3'-((bis(2-bromoethyl)amino)methyl)-4'-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.