RefChem:1066908
TL;DR: RefChem:1066908 (CAS 31364-63-3) is a chemical compound with molecular formula C17H35ClN2O2 and molecular weight 334.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylpiperazin-1-ium-1-yl)propyl 2-ethyl-2-methylhexanoate chloride
Also Known As: 2-Ethyl-2-methylhexanoic acid 3-(4-methyl-1-piperazinyl)propyl ester hydrochloride, Hexanoic acid, 2-ethyl-2-methyl-, 3-(4-methyl-1-piperazinyl)propyl ester, monohydrochloride, 3-(4-methylpiperazin-1-ium-1-yl)propyl 2-ethyl-2-methylhexanoate chloride, 3-(4-Methylpiperazin-1-yl)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1), HEXANOIC ACID, 2-ETHYL-2-METHYL-, 3-(4-METHYL-1-PIPERAZINYL)PROPYL ESTER, MONOHY
| Molecular Formula | C17H35ClN2O2 |
|---|---|
| Molecular Weight | 334.24 g/mol |
| LogP | -1.64 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 334.2387 |
| Heavy Atoms | 22 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 31364-63-3 |
|---|---|
| SMILES | CCCCC(C)(CC)C(=O)OCCC[NH+]1CCN(CC1)C.[Cl-] |
| InChIKey | WKVKEPHQOIKPIH-UHFFFAOYSA-N |
Product Overview
RefChem:1066908 (CAS 31364-63-3), with molecular formula C17H35ClN2O2 and molecular weight 334.24 g/mol. IUPAC: 3-(4-methylpiperazin-1-ium-1-yl)propyl 2-ethyl-2-methylhexanoate chloride.
Chemical Property Profile of RefChem:1066908
Property Insights of RefChem:1066908
The XLogP value of -1.64 indicates that RefChem:1066908 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.0 Ų, RefChem:1066908 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066908 has 1 hydrogen bond donor(s) and 4 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:1066908?
The CAS number of RefChem:1066908 is 31364-63-3.
What is the molecular formula of RefChem:1066908?
The molecular formula of RefChem:1066908 is C17H35ClN2O2.
What is the molecular weight of RefChem:1066908?
The molecular weight of RefChem:1066908 is 334.24 g/mol.
Where can I buy RefChem:1066908?
You can request a quote for RefChem:1066908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066908?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.