RefChem:227463
TL;DR: RefChem:227463 (CAS 101636-42-4) is a chemical compound with molecular formula C28H38BrNO3 and molecular weight 515.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-[(4-tert-butylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
Also Known As: 8-(p-tert-Butylbenzyl)atropinium bromide, Atropinium, 8-(p-tert-butylbenzyl)-, bromide, 1-alpha-H,5-alpha-H-Tropanium, 8-(p-tert-butylbenzyl)-3-alpha-hydroxy-, bromide, (+-)-tropate, [8-[(4-tert-butylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide, 8-[(4-tert-Butylphenyl)methyl]-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide
| Molecular Formula | C28H38BrNO3 |
|---|---|
| Molecular Weight | 515.20 g/mol |
| LogP | 1.9474 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.2035 |
| Heavy Atoms | 33 |
| Complexity | 908.4087 |
Chemical Identifiers
| CAS Number | 101636-42-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-] |
Product Overview
RefChem:227463 (CAS 101636-42-4), with molecular formula C28H38BrNO3 and molecular weight 515.20 g/mol. IUPAC: [8-[(4-tert-butylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide.
Chemical Property Profile of RefChem:227463
Property Insights of RefChem:227463
The XLogP value of 1.9474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:227463. With a topological polar surface area (TPSA) of 46.53 Ų, RefChem:227463 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:227463 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:227463?
The CAS number of RefChem:227463 is 101636-42-4.
What is the molecular formula of RefChem:227463?
The molecular formula of RefChem:227463 is C28H38BrNO3.
What is the molecular weight of RefChem:227463?
The molecular weight of RefChem:227463 is 515.20 g/mol.
Where can I buy RefChem:227463?
You can request a quote for RefChem:227463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227463?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.