Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl-
TL;DR: Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl- (CAS 63979-57-7) is a chemical compound with molecular formula C17H20Cl2N2O and molecular weight 338.09528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[bis(2-chloroethyl)amino]anilino]-2-methylphenol
Also Known As: 4'-(Di-2''-chloroethylamino)-4-hydroxy-3-methyldiphenylamine, DIPHENYLAMINE, 4'-(BIS(2-CHLOROETHYL)AMINO)-4-HYDROXY-3-METHYL-, 4-[4-[bis(2-chloroethyl)amino]anilino]-2-methylphenol, 4-[[4-[Bis amino]phenyl]amino]-2-methylphenol, 4-{4-[Bis(2-chloroethyl)amino]anilino}-2-methylphenol
Technical Specifications
| Molecular Formula | C17H20Cl2N2O |
| Molecular Weight | 338.09528 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.09528 Da |
| Heavy Atoms | 22 |
| Complexity | 305.0 |
| SMILES | CC1=C(C=CC(=C1)NC2=CC=C(C=C2)N(CCCl)CCCl)O |
| InChIKey | ROLHXRRUSFYMPA-UHFFFAOYSA-N |
Chemical Property Profile of Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl-
Property Insights of Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl-
The XLogP value of 4.8 indicates that Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl-?
The CAS number of Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl- is 63979-57-7.
What is the molecular formula of Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl-?
The molecular formula of Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl- is C17H20Cl2N2O.
What is the molecular weight of Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl-?
The molecular weight of Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl- is 338.09528 g/mol.
Where can I buy Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl-?
You can request a quote for Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl-?
Yes, CoreyChem provides custom synthesis services for Diphenylamine, 4'-(bis(2-chloroethyl)amino)-4-hydroxy-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.