Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy-
TL;DR: Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy- (CAS 56288-29-0) is a chemical compound with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyphenyl]acetamide
Also Known As: 1-(4-Phenoxyphenyl)butane-1,3-dione, 3'-[[Bis amino]methyl]-4'-methoxyacetanilide, 3-Bis(2-choroethyl)aminomethyl-4-methoxyacetamidobenzene, ACETANILIDE, 3'-((BIS(2-CHLOROETHYL)AMINO)METHYL)-4'-METHOXY-, 3-Bis(2-chloroethyl)aminomethyl-4-methoxy-acetamidobenzene
| Molecular Formula | C14H20Cl2N2O2 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 318.09018 |
| Heavy Atoms | 20 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 56288-29-0 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)OC)CN(CCCl)CCCl |
| InChIKey | MFPNFDGCKNZNOX-UHFFFAOYSA-N |
Product Overview
Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy- (CAS 56288-29-0), with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol. IUPAC: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyphenyl]acetamide.
Chemical Property Profile of Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy-
Property Insights of Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy-. With a topological polar surface area (TPSA) of 41.6 Ų, Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy- 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-chloroethyl)amino)methyl)-4'-methoxy-?
The CAS number of Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy- is 56288-29-0.
What is the molecular formula of Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy-?
The molecular formula of Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy- is C14H20Cl2N2O2.
What is the molecular weight of Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy-?
The molecular weight of Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy- is 318.09 g/mol.
Where can I buy Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy-?
You can request a quote for Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy- 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-chloroethyl)amino)methyl)-4'-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, 3'-((bis(2-chloroethyl)amino)methyl)-4'-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.