2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide
TL;DR: 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide (CAS 64037-45-2) is a chemical compound with molecular formula C8H16BrCl2NO and molecular weight 290.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl)-(3-oxobutyl)azanium bromide
Also Known As: TL 928, 2-BUTANONE, 4-(BIS(2-CHLOROETHYLAMINO)-, HYDROBROMIDE, 2-Butanone, 4-(2,2'-dichloro-diethylamino)-, hydrobromide, bis(2-chloroethyl)-(3-oxobutyl)azanium bromide, bis(2-chloroethyl)-(3-oxobutyl)azanium,bromide
| Molecular Formula | C8H16BrCl2NO |
|---|---|
| Molecular Weight | 290.98 g/mol |
| LogP | -2.67 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.97922 |
| Heavy Atoms | 13 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 64037-45-2 |
|---|---|
| SMILES | CC(=O)CC[NH+](CCCl)CCCl.[Br-] |
| InChIKey | NDRYRJHZJURPEM-UHFFFAOYSA-N |
Product Overview
2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide (CAS 64037-45-2), with molecular formula C8H16BrCl2NO and molecular weight 290.98 g/mol. IUPAC: bis(2-chloroethyl)-(3-oxobutyl)azanium bromide.
Chemical Property Profile of 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide
Property Insights of 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide
The XLogP value of -2.67 indicates that 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.5 Ų, 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide 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 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide?
The CAS number of 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide is 64037-45-2.
What is the molecular formula of 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide?
The molecular formula of 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide is C8H16BrCl2NO.
What is the molecular weight of 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide?
The molecular weight of 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide is 290.98 g/mol.
Where can I buy 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide?
You can request a quote for 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide 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-chloroethylamino)-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 4-(bis(2-chloroethylamino)-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.