1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone
TL;DR: 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone (CAS 23698-21-7) is a chemical compound with molecular formula C12H15Cl2NO and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[bis(2-chloroethyl)amino]phenyl]ethanone
Also Known As: 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone, KST-1B2017, 0641AB, 1-[4-[bis(2-chloroethyl)amino]phenyl]ethanone, Ethanone, 1-(4-(bis(2-chloroethyl)amino)phenyl)-
| Molecular Formula | C12H15Cl2NO |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.05307 |
| Heavy Atoms | 16 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 23698-21-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | KWFNQPQHPUCUAI-UHFFFAOYSA-N |
Product Overview
1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone (CAS 23698-21-7), with molecular formula C12H15Cl2NO and molecular weight 259.05 g/mol. IUPAC: 1-[4-[bis(2-chloroethyl)amino]phenyl]ethanone.
Chemical Property Profile of 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone
Property Insights of 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone 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 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone?
The CAS number of 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone is 23698-21-7.
What is the molecular formula of 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone?
The molecular formula of 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone is C12H15Cl2NO.
What is the molecular weight of 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone?
The molecular weight of 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone is 259.05 g/mol.
Where can I buy 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone?
You can request a quote for 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.