Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino
TL;DR: Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino (CAS 4587-15-9) is a chemical compound with molecular formula C15H20Cl2N2O2 and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[bis(2-chloroethyl)amino]phenyl]-morpholin-4-ylmethanone
Also Known As: KETONE, m-(BIS(2-CHLOROETHYL)AMINO)PHENYL MORPHOLINO, 3-[Bis(2-chloroethyl)amino]phenylmorpholino ketone, N,N-bis(2-chloroethyl)-3-(morpholine-4-carbonyl)aniline, [3-[bis(2-chloroethyl)amino]phenyl]-morpholin-4-ylmethanone, {3-[Bis(2-chloroethyl)amino]phenyl}(morpholin-4-yl)methanone
| Molecular Formula | C15H20Cl2N2O2 |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.09018 |
| Heavy Atoms | 21 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 4587-15-9 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CC(=CC=C2)N(CCCl)CCCl |
| InChIKey | KMZZDAZLILAJHI-UHFFFAOYSA-N |
Product Overview
Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino (CAS 4587-15-9), with molecular formula C15H20Cl2N2O2 and molecular weight 330.09 g/mol. IUPAC: [3-[bis(2-chloroethyl)amino]phenyl]-morpholin-4-ylmethanone.
Chemical Property Profile of Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino
Property Insights of Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino. With a topological polar surface area (TPSA) of 32.8 Ų, Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino has 0 hydrogen bond donor(s) and 3 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, m-(bis(2-chloroethyl)amino)phenyl morpholino?
The CAS number of Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino is 4587-15-9.
What is the molecular formula of Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino?
The molecular formula of Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino is C15H20Cl2N2O2.
What is the molecular weight of Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino?
The molecular weight of Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino is 330.09 g/mol.
Where can I buy Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino?
You can request a quote for Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino?
Yes, KEHONG BIO provides custom synthesis services for Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.