RefChem:218949
TL;DR: RefChem:218949 (CAS 3666-77-1) is a chemical compound with molecular formula C26H37ClN2O2 and molecular weight 444.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-ium-4-yl]-N,N-diethylethanamine chloride
Also Known As: beta-4-(1-(2-Diethylaminoethyl)-2-piperidyl)-2,2-diphenyl-1,3-dioxolane dihydrochloride, 1,3-Dioxolane, 4-(1-(2-diethylaminoethyl)-2-piperidyl)-2,2-diphenyl-, dihydrochloride, beta-, 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-ium-4-yl]-N,N-diethylethanamine chloride, 1,3-DIOXOLANE, 4-(1-(2-DIETHYLAMINOETHYL)-2-PIPERIDYL)-2,2-DIPHENYL-, DIHYDROCHL, 1-Piperidineethanamine, 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-diethyl-, dihydrochloride
| Molecular Formula | C26H37ClN2O2 |
|---|---|
| Molecular Weight | 444.25 g/mol |
| LogP | 0.38 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.25436 |
| Heavy Atoms | 31 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 3666-77-1 |
|---|---|
| SMILES | CCN(CC)CCC1CC[NH2+]C(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-] |
| InChIKey | OCAVLWGANBBEIM-UHFFFAOYSA-N |
Product Overview
RefChem:218949 (CAS 3666-77-1), with molecular formula C26H37ClN2O2 and molecular weight 444.25 g/mol. IUPAC: 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-ium-4-yl]-N,N-diethylethanamine chloride.
Chemical Property Profile of RefChem:218949
Property Insights of RefChem:218949
The XLogP value of 0.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:218949. With a topological polar surface area (TPSA) of 38.3 Ų, RefChem:218949 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:218949 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:218949?
The CAS number of RefChem:218949 is 3666-77-1.
What is the molecular formula of RefChem:218949?
The molecular formula of RefChem:218949 is C26H37ClN2O2.
What is the molecular weight of RefChem:218949?
The molecular weight of RefChem:218949 is 444.25 g/mol.
Where can I buy RefChem:218949?
You can request a quote for RefChem:218949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:218949?
Yes, KEHONG BIO provides custom synthesis services for RefChem:218949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.