2-Butanone, 4-(bis(2-chloroethyl)amino)-
TL;DR: 2-Butanone, 4-(bis(2-chloroethyl)amino)- (CAS 100482-48-2) is a chemical compound with molecular formula C8H15Cl2NO and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)amino]butan-2-one
Also Known As: 4-[bis(2-chloroethyl)amino]butan-2-one, 4-(Bis(2-chloroethyl)amino)-2-butanone, 2-BUTANONE, 4-(BIS(2-CHLOROETHYL)AMINO)-, 3-04-00-00883 (Beilstein Handbook Reference), 4-[Bis(2-chloroethyl)amino]-2-butanone
| Molecular Formula | C8H15Cl2NO |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 211.05307 |
| Heavy Atoms | 12 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 100482-48-2 |
|---|---|
| SMILES | CC(=O)CCN(CCCl)CCCl |
| InChIKey | VQKLXBSWQMVZHJ-UHFFFAOYSA-N |
Product Overview
2-Butanone, 4-(bis(2-chloroethyl)amino)- (CAS 100482-48-2), with molecular formula C8H15Cl2NO and molecular weight 211.05 g/mol. IUPAC: 4-[bis(2-chloroethyl)amino]butan-2-one.
Chemical Property Profile of 2-Butanone, 4-(bis(2-chloroethyl)amino)-
Property Insights of 2-Butanone, 4-(bis(2-chloroethyl)amino)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 4-(bis(2-chloroethyl)amino)-. With a topological polar surface area (TPSA) of 20.3 Ų, 2-Butanone, 4-(bis(2-chloroethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 4-(bis(2-chloroethyl)amino)- 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 2-Butanone, 4-(bis(2-chloroethyl)amino)-?
The CAS number of 2-Butanone, 4-(bis(2-chloroethyl)amino)- is 100482-48-2.
What is the molecular formula of 2-Butanone, 4-(bis(2-chloroethyl)amino)-?
The molecular formula of 2-Butanone, 4-(bis(2-chloroethyl)amino)- is C8H15Cl2NO.
What is the molecular weight of 2-Butanone, 4-(bis(2-chloroethyl)amino)-?
The molecular weight of 2-Butanone, 4-(bis(2-chloroethyl)amino)- is 211.05 g/mol.
Where can I buy 2-Butanone, 4-(bis(2-chloroethyl)amino)-?
You can request a quote for 2-Butanone, 4-(bis(2-chloroethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 4-(bis(2-chloroethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 4-(bis(2-chloroethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.