![Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl- structure](/static/products/539/53986-81-5.png)
Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl-
TL;DR: Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl- (CAS 53986-81-5) is a chemical compound with molecular formula C21H26Cl2N2O and molecular weight 392.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[bis(2-chloroethyl)amino]phenyl]-N-methyl-N-phenylbutanamide
Also Known As: (4-benzylpiperidin-1-yl)-(4-chlorophenyl)methanone, 4-{4-[bis(2-chloroethyl)amino]phenyl}-n-methyl-n-phenylbutanamide, 4-[Bis(2-chloroethyl)amino]-N-methyl-N-phenylbenzenebutanamide, 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-methyl-N-phenylbutanamide, Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl-
| Molecular Formula | C21H26Cl2N2O |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 392.1422 |
| Heavy Atoms | 26 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 53986-81-5 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | UKQFILCVVGVQMB-UHFFFAOYSA-N |
Product Overview
Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl- (CAS 53986-81-5), with molecular formula C21H26Cl2N2O and molecular weight 392.14 g/mol. IUPAC: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-methyl-N-phenylbutanamide.
Chemical Property Profile of Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl-
Property Insights of Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl-
The XLogP value of 3.2 indicates that Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl- has 0 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 Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl-?
The CAS number of Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl- is 53986-81-5.
What is the molecular formula of Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl-?
The molecular formula of Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl- is C21H26Cl2N2O.
What is the molecular weight of Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl-?
The molecular weight of Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl- is 392.14 g/mol.
Where can I buy Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl-?
You can request a quote for Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-methyl-N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.