2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1)
TL;DR: 2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1) (CAS 5359-08-0) is a chemical compound with molecular formula C4H9BrClNO and molecular weight 200.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-chlorobutan-2-one;hydrobromide
Also Known As: Alanine cmk, Alanine chloromethyl ketone, Ala-chloromethyl ketone, 2-Butanone, 3-amino-1-chloro-, hydrobromide, 3-amino-1-chlorobutan-2-one,hydrobromide
| Molecular Formula | C4H9BrClNO |
|---|---|
| Molecular Weight | 200.96 g/mol |
| LogP | 0.7194 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.9556 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 5359-08-0 |
|---|---|
| SMILES | CC(C(=O)CCl)N.Br |
| InChIKey | DECZNWLQSCKYEI-UHFFFAOYSA-N |
Product Overview
2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1) (CAS 5359-08-0), with molecular formula C4H9BrClNO and molecular weight 200.96 g/mol. IUPAC: 3-amino-1-chlorobutan-2-one;hydrobromide.
Chemical Property Profile of 2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1)
Property Insights of 2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1)
The XLogP value of 0.7194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1). With a topological polar surface area (TPSA) of 43.1 Ų, 2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1) has 2 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, 3-amino-1-chloro-, hydrobromide (1:1)?
The CAS number of 2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1) is 5359-08-0.
What is the molecular formula of 2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1)?
The molecular formula of 2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1) is C4H9BrClNO.
What is the molecular weight of 2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1)?
The molecular weight of 2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1) is 200.96 g/mol.
Where can I buy 2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1)?
You can request a quote for 2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 3-amino-1-chloro-, hydrobromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.