RefChem:1051871
TL;DR: RefChem:1051871 (CAS 63991-47-9) is a chemical compound with molecular formula C23H30ClNO3 and molecular weight 403.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,2,2,6-tetramethylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate chloride
Also Known As: BENZILIC ACID, 1,2,2,6-TETRAMETHYL-4-PIPERIDINYL ESTER, HYDROCHLORIDE, (1,2,2,6-tetramethylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate chloride, 1,2,2,6-Tetramethylpiperidin-4-yl hydroxy(diphenyl)acetate--hydrogen chloride (1/1), Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, 1,2,2,6-tetramethyl-4-piperidinyl ester, hydrochloride, RefChem:1051871
| Molecular Formula | C23H30ClNO3 |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | -0.69 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.1914 |
| Heavy Atoms | 28 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 63991-47-9 |
|---|---|
| SMILES | CC1CC(CC([NH+]1C)(C)C)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | MFAQQEDOPGYWNV-UHFFFAOYSA-N |
Product Overview
RefChem:1051871 (CAS 63991-47-9), with molecular formula C23H30ClNO3 and molecular weight 403.19 g/mol. IUPAC: (1,2,2,6-tetramethylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate chloride.
Chemical Property Profile of RefChem:1051871
Property Insights of RefChem:1051871
The XLogP value of -0.69 indicates that RefChem:1051871 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.0 Ų, RefChem:1051871 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1051871 has 2 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:1051871?
The CAS number of RefChem:1051871 is 63991-47-9.
What is the molecular formula of RefChem:1051871?
The molecular formula of RefChem:1051871 is C23H30ClNO3.
What is the molecular weight of RefChem:1051871?
The molecular weight of RefChem:1051871 is 403.19 g/mol.
Where can I buy RefChem:1051871?
You can request a quote for RefChem:1051871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1051871?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1051871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.