Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro-
TL;DR: Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro- (CAS 1226-77-3) is a chemical compound with molecular formula C12H13Cl5N2O and molecular weight 375.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[bis(2-chloroethyl)amino]phenyl]-2,2,2-trichloroacetamide
Also Known As: Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro-, 4'-(Bis(2-chloroethyl)amino)-2,2,2-trichloroacetanilide, Acetanilide, 4'-[bis(2-chloroethyl)amino]-2,2,2-trichloro-, N-[4-[bis(2-chloroethyl)amino]phenyl]-2,2,2-trichloroacetamide, N-{4-[bis(2-chloroethyl)amino]phenyl}-2,2,2-trichloroacetamide
| Molecular Formula | C12H13Cl5N2O |
|---|---|
| Molecular Weight | 375.95 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.94705 |
| Heavy Atoms | 20 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 1226-77-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C(Cl)(Cl)Cl)N(CCCl)CCCl |
| InChIKey | QJUPKDFHLIZCIE-UHFFFAOYSA-N |
Product Overview
Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro- (CAS 1226-77-3), with molecular formula C12H13Cl5N2O and molecular weight 375.95 g/mol. IUPAC: N-[4-[bis(2-chloroethyl)amino]phenyl]-2,2,2-trichloroacetamide.
Chemical Property Profile of Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro-
Property Insights of Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro-
The XLogP value of 4.3 indicates that Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro- has 1 hydrogen bond donor(s) and 2 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, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro-?
The CAS number of Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro- is 1226-77-3.
What is the molecular formula of Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro-?
The molecular formula of Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro- is C12H13Cl5N2O.
What is the molecular weight of Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro-?
The molecular weight of Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro- is 375.95 g/mol.
Where can I buy Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro-?
You can request a quote for Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, 4'-(bis(2-chloroethyl)amino)-2,2,2-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.