Benactizina N. 53
TL;DR: Benactizina N. 53 (CAS 97157-06-7) is a chemical compound with molecular formula C27H30ClNO3 and molecular weight 451.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-phenyl-2-piperidin-1-ium-1-ylethyl) 2-hydroxy-2,2-diphenylacetate chloride
Also Known As: Benactizina N. 53, Benactizina N. 53 [Italian], BENZILIC ACID, alpha-(PIPERIDINOMETHYL)BENZYL ESTER, HYDROCHLORIDE, 1-Piperidineethanol, alpha-phenyl-, benzilate, hydrochloride, (1-phenyl-2-piperidin-1-ium-1-ylethyl) 2-hydroxy-2,2-diphenylacetate chloride
| Molecular Formula | C27H30ClNO3 |
|---|---|
| Molecular Weight | 451.19 g/mol |
| LogP | 0.28 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.1914 |
| Heavy Atoms | 32 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 97157-06-7 |
|---|---|
| SMILES | C1CC[NH+](CC1)CC(C2=CC=CC=C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-] |
| InChIKey | QSUUPFLPJAKAJA-UHFFFAOYSA-N |
Product Overview
Benactizina N. 53 (CAS 97157-06-7), with molecular formula C27H30ClNO3 and molecular weight 451.19 g/mol. IUPAC: (1-phenyl-2-piperidin-1-ium-1-ylethyl) 2-hydroxy-2,2-diphenylacetate chloride.
Chemical Property Profile of Benactizina N. 53
Property Insights of Benactizina N. 53
The XLogP value of 0.28 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benactizina N. 53. With a topological polar surface area (TPSA) of 51.0 Ų, Benactizina N. 53 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benactizina N. 53 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 Benactizina N. 53?
The CAS number of Benactizina N. 53 is 97157-06-7.
What is the molecular formula of Benactizina N. 53?
The molecular formula of Benactizina N. 53 is C27H30ClNO3.
What is the molecular weight of Benactizina N. 53?
The molecular weight of Benactizina N. 53 is 451.19 g/mol.
Where can I buy Benactizina N. 53?
You can request a quote for Benactizina N. 53 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benactizina N. 53?
Yes, KEHONG BIO provides custom synthesis services for Benactizina N. 53 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.