二苯羟乙酸托品甲基碘化物
TL;DR: 二苯羟乙酸托品甲基碘化物 (CAS 72929-47-6) is a chemical compound with molecular formula C23H28INO3 and molecular weight 493.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苯羟乙酸托品甲基碘化物
(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate iodide
Also Known As: Benziloyltropine methyliodide, Benzilyltropine methiodide, N-160, 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-methyl-, iodide, benzilate (ester), (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;iodide
| Molecular Formula | C23H28INO3 |
|---|---|
| Molecular Weight | 493.11 g/mol |
| LogP | 0.2395 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.1114 |
| Heavy Atoms | 28 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 72929-47-6 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[I-] |
| InChIKey | XOXFLDFMLLOORP-UHFFFAOYSA-M |
Product Overview
二苯羟乙酸托品甲基碘化物 (CAS 72929-47-6), with molecular formula C23H28INO3 and molecular weight 493.11 g/mol. IUPAC: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate iodide.
Chemical Property Profile of 二苯羟乙酸托品甲基碘化物
Property Insights of 二苯羟乙酸托品甲基碘化物
The XLogP value of 0.2395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二苯羟乙酸托品甲基碘化物. With a topological polar surface area (TPSA) of 46.5 Ų, 二苯羟乙酸托品甲基碘化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苯羟乙酸托品甲基碘化物 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 二苯羟乙酸托品甲基碘化物?
The CAS number of 二苯羟乙酸托品甲基碘化物 is 72929-47-6.
What is the molecular formula of 二苯羟乙酸托品甲基碘化物?
The molecular formula of 二苯羟乙酸托品甲基碘化物 is C23H28INO3.
What is the molecular weight of 二苯羟乙酸托品甲基碘化物?
The molecular weight of 二苯羟乙酸托品甲基碘化物 is 493.11 g/mol.
Where can I buy 二苯羟乙酸托品甲基碘化物?
You can request a quote for 二苯羟乙酸托品甲基碘化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯羟乙酸托品甲基碘化物?
Yes, KEHONG BIO provides custom synthesis services for 二苯羟乙酸托品甲基碘化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.