Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)-
TL;DR: Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)- (CAS 21447-87-0) is a chemical compound with molecular formula C17H24Cl2N2O and molecular weight 342.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-piperidin-1-ylmethanone
Also Known As: KST-1B1773, 3-Bis amino-4-methylphenyl ketone, 3-(Bis(2-chloroethyl)amino)-p-tolyl piperidyl ketone, 1-(3-(Bis(2-chloroethyl)amino)-p-toluoyl)piperidine, Ketone, 3-(bis(2-chloroethyl)amino)-p-tolyl piperidyl-
| Molecular Formula | C17H24Cl2N2O |
|---|---|
| Molecular Weight | 342.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.12656 |
| Heavy Atoms | 22 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 21447-87-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCCCC2)N(CCCl)CCCl |
| InChIKey | RUDUXQPKMFPBKF-UHFFFAOYSA-N |
Product Overview
Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)- (CAS 21447-87-0), with molecular formula C17H24Cl2N2O and molecular weight 342.13 g/mol. IUPAC: [3-[bis(2-chloroethyl)amino]-4-methylphenyl]-piperidin-1-ylmethanone.
Chemical Property Profile of Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)-
Property Insights of Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)-
The XLogP value of 3.9 indicates that Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)- 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 Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)-?
The CAS number of Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)- is 21447-87-0.
What is the molecular formula of Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)-?
The molecular formula of Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)- is C17H24Cl2N2O.
What is the molecular weight of Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)-?
The molecular weight of Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)- is 342.13 g/mol.
Where can I buy Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)-?
You can request a quote for Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)-?
Yes, KEHONG BIO provides custom synthesis services for Piperidine, 1-(3-(bis(2-chloroethyl)amino)-p-toluoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.