RefChem:77088
TL;DR: RefChem:77088 (CAS 70729-70-3) is a chemical compound with molecular formula C12H24Cl2N2O2 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-hydroxypropyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
Also Known As: N-(2-Hydroxy-3-chloropropyl)-N-(3-methacrylamidopropyl)-N,N-dimethylammonium chloride, 1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-(3-((2-methyl-1-oxo-2-propen-1-yl)amino)propyl)-, chloride (1:1), 3-chloro-2-hydroxy-n-[3-(methacryloylamino)propyl]-n,n-dimethylpropan-1-aminium chloride, 1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-(3-((2-methyl-1-oxo-2-propenyl)amino)propyl)-, chloride, 1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-[3-[(2-methyl-1-oxo-2-propen-1-yl)amino]propyl]-, chloride (1:1)
| Molecular Formula | C12H24Cl2N2O2 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | -2.25 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.1215 |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 70729-70-3 |
|---|---|
| SMILES | CC(=C)C(=O)NCCC[N+](C)(C)CC(CCl)O.[Cl-] |
| InChIKey | JREQELSWGZJGAH-UHFFFAOYSA-N |
Product Overview
RefChem:77088 (CAS 70729-70-3), with molecular formula C12H24Cl2N2O2 and molecular weight 298.12 g/mol. IUPAC: (3-chloro-2-hydroxypropyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride.
Chemical Property Profile of RefChem:77088
Property Insights of RefChem:77088
The XLogP value of -2.25 indicates that RefChem:77088 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.3 Ų, RefChem:77088 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:77088 has 2 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 RefChem:77088?
The CAS number of RefChem:77088 is 70729-70-3.
What is the molecular formula of RefChem:77088?
The molecular formula of RefChem:77088 is C12H24Cl2N2O2.
What is the molecular weight of RefChem:77088?
The molecular weight of RefChem:77088 is 298.12 g/mol.
Where can I buy RefChem:77088?
You can request a quote for RefChem:77088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77088?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.