RefChem:1075694
TL;DR: RefChem:1075694 (CAS 3138-69-0) is a chemical compound with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-1-ium-3-yl) 2-methoxy-2,2-diphenylacetate chloride
Also Known As: Acetic acid, 2,2-diphenyl-2-methoxy-, (1-methyl-3-piperidyl) ester, hydrochloride, 2,2-Diphenyl-2-methoxyacetic acid (1-methyl-3-piperidyl) ester hydrochloride, (1-methylpiperidin-1-ium-3-yl) 2-methoxy-2,2-diphenylacetate chloride, Benzeneacetic acid, .alpha.-methoxy-.alpha.-phenyl-, 1-methyl-3-piperidinyl ester, hydrochloride, RefChem:1075694
| Molecular Formula | C21H26ClNO3 |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.16013 |
| Heavy Atoms | 26 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 3138-69-0 |
|---|---|
| SMILES | C[NH+]1CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC.[Cl-] |
| InChIKey | SMSJRVTWVPHLCT-UHFFFAOYSA-N |
Product Overview
RefChem:1075694 (CAS 3138-69-0), with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol. IUPAC: (1-methylpiperidin-1-ium-3-yl) 2-methoxy-2,2-diphenylacetate chloride.
Chemical Property Profile of RefChem:1075694
Property Insights of RefChem:1075694
The XLogP value of -1.2 indicates that RefChem:1075694 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:1075694 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1075694 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:1075694?
The CAS number of RefChem:1075694 is 3138-69-0.
What is the molecular formula of RefChem:1075694?
The molecular formula of RefChem:1075694 is C21H26ClNO3.
What is the molecular weight of RefChem:1075694?
The molecular weight of RefChem:1075694 is 375.16 g/mol.
Where can I buy RefChem:1075694?
You can request a quote for RefChem:1075694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075694?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.