Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl
TL;DR: Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl (CAS 4638-44-2) is a chemical compound with molecular formula C13H16Cl2N2O and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aziridin-1-yl-[3-[bis(2-chloroethyl)amino]phenyl]methanone
Also Known As: KETONE, 1-AZIRIDINYL m-(BIS(2-CHLOROETHYL)AMINO)PHENYL, 1-Aziridinyl m-[bis(2-chloroethyl)amino]phenyl ketone, aziridin-1-yl-[3-[bis(2-chloroethyl)amino]phenyl]methanone, 3-(aziridine-1-carbonyl)-N,N-bis(2-chloroethyl)aniline, (Aziridin-1-yl){3-[bis(2-chloroethyl)amino]phenyl}methanone
| Molecular Formula | C13H16Cl2N2O |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 23.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.06396 |
| Heavy Atoms | 18 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 4638-44-2 |
|---|---|
| SMILES | C1CN1C(=O)C2=CC(=CC=C2)N(CCCl)CCCl |
| InChIKey | AYYTWDLVGKCOER-UHFFFAOYSA-N |
Product Overview
Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl (CAS 4638-44-2), with molecular formula C13H16Cl2N2O and molecular weight 286.06 g/mol. IUPAC: aziridin-1-yl-[3-[bis(2-chloroethyl)amino]phenyl]methanone.
Chemical Property Profile of Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl
Property Insights of Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl. With a topological polar surface area (TPSA) of 23.3 Ų, Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)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 Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl?
The CAS number of Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl is 4638-44-2.
What is the molecular formula of Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl?
The molecular formula of Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl is C13H16Cl2N2O.
What is the molecular weight of Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl?
The molecular weight of Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl is 286.06 g/mol.
Where can I buy Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl?
You can request a quote for Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl?
Yes, KEHONG BIO provides custom synthesis services for Ketone, 1-aziridinyl m-(bis(2-chloroethyl)amino)phenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.