1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride
TL;DR: 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride (CAS 33538-75-9) is a chemical compound with molecular formula C13H17Cl4NO and molecular weight 343.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)amino]-1-(4-chlorophenyl)propan-1-one;hydrochloride
Also Known As: 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride, 3-(Bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-1-propanone hydrochloride, beta-(Bis(2-chloraethyl)amino)-4-chlor-propiophenon-hydrochlorid [German], beta-(Bis(2-chloraethyl)amino)-4-chlor-propiophenon-hydrochlorid, 3-[bis(2-chloroethyl)amino]-1-(4-chlorophenyl)propan-1-one hydrochloride(1:1)
| Molecular Formula | C13H17Cl4NO |
|---|---|
| Molecular Weight | 343.01 g/mol |
| LogP | 4.1142 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.00644 |
| Heavy Atoms | 19 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 33538-75-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CCN(CCCl)CCCl)Cl.Cl |
| InChIKey | MYYLPSFAEHACAV-UHFFFAOYSA-N |
Product Overview
1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride (CAS 33538-75-9), with molecular formula C13H17Cl4NO and molecular weight 343.01 g/mol. IUPAC: 3-[bis(2-chloroethyl)amino]-1-(4-chlorophenyl)propan-1-one;hydrochloride.
Chemical Property Profile of 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride
Property Insights of 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride
The XLogP value of 4.1142 indicates that 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride 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 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride?
The CAS number of 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride is 33538-75-9.
What is the molecular formula of 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride?
The molecular formula of 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride is C13H17Cl4NO.
What is the molecular weight of 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride?
The molecular weight of 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride is 343.01 g/mol.
Where can I buy 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride?
You can request a quote for 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.