RefChem:914966
TL;DR: RefChem:914966 (CAS 80842-07-5) is a chemical compound with molecular formula C15H21Cl2NO3 and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-1-ium-3-yl)methyl 2-(4-chlorophenoxy)acetate chloride
Also Known As: Sid 192197, Acetic acid, (4-chlorophenoxy)-, (2S-cis)-, (1-Methyl-3-piperidinyl)methyl (4-chlorophenoxy)acetate hydrochloride, 3-Hydroxymethyl-N-methylpiperidyl (4-chlorophenoxy)acetate, 3-Hydroxymethyl-N-methylpiperidine 4-chlorophenoxyacetate hydrochloride
| Molecular Formula | C15H21Cl2NO3 |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | -1.81 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.08984 |
| Heavy Atoms | 21 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 80842-07-5 |
|---|---|
| SMILES | C[NH+]1CCCC(C1)COC(=O)COC2=CC=C(C=C2)Cl.[Cl-] |
| InChIKey | JHJOZTMFSDMYCE-UHFFFAOYSA-N |
Product Overview
RefChem:914966 (CAS 80842-07-5), with molecular formula C15H21Cl2NO3 and molecular weight 333.09 g/mol. IUPAC: (1-methylpiperidin-1-ium-3-yl)methyl 2-(4-chlorophenoxy)acetate chloride.
Chemical Property Profile of RefChem:914966
Property Insights of RefChem:914966
The XLogP value of -1.81 indicates that RefChem:914966 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:914966 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:914966 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:914966?
The CAS number of RefChem:914966 is 80842-07-5.
What is the molecular formula of RefChem:914966?
The molecular formula of RefChem:914966 is C15H21Cl2NO3.
What is the molecular weight of RefChem:914966?
The molecular weight of RefChem:914966 is 333.09 g/mol.
Where can I buy RefChem:914966?
You can request a quote for RefChem:914966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:914966?
Yes, KEHONG BIO provides custom synthesis services for RefChem:914966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.