RefChem:1070178
TL;DR: RefChem:1070178 (CAS 95441-50-2) is a chemical compound with molecular formula C23H26ClNO3 and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-piperidin-1-ium-1-ylbut-2-ynyl 2-hydroxy-2,2-diphenylacetate chloride
Also Known As: 4-Piperidino-2-butynyl benzilic acid hydrochloride, BENZILIC ACID, 4-PIPERIDINO-2-BUTYNYL ESTER, HYDROCHLORIDE, 4-piperidin-1-ium-1-ylbut-2-ynyl 2-hydroxy-2,2-diphenylacetate chloride, 4-(Piperidin-1-yl)but-2-yn-1-yl hydroxy(diphenyl)acetate--hydrogen chloride (1/1), RefChem:1070178
| Molecular Formula | C23H26ClNO3 |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | -1.46 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.16013 |
| Heavy Atoms | 28 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 95441-50-2 |
|---|---|
| SMILES | C1CC[NH+](CC1)CC#CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | XVHQNJQDLVSUPT-UHFFFAOYSA-N |
Product Overview
RefChem:1070178 (CAS 95441-50-2), with molecular formula C23H26ClNO3 and molecular weight 399.16 g/mol. IUPAC: 4-piperidin-1-ium-1-ylbut-2-ynyl 2-hydroxy-2,2-diphenylacetate chloride.
Chemical Property Profile of RefChem:1070178
Property Insights of RefChem:1070178
The XLogP value of -1.46 indicates that RefChem:1070178 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:1070178 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1070178 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:1070178?
The CAS number of RefChem:1070178 is 95441-50-2.
What is the molecular formula of RefChem:1070178?
The molecular formula of RefChem:1070178 is C23H26ClNO3.
What is the molecular weight of RefChem:1070178?
The molecular weight of RefChem:1070178 is 399.16 g/mol.
Where can I buy RefChem:1070178?
You can request a quote for RefChem:1070178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1070178?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1070178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.