RefChem:349721
TL;DR: RefChem:349721 (CAS 103097-50-3) is a chemical compound with molecular formula C28H32BrNO3 and molecular weight 509.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-phenyl-1-[2-(4-phenylphenoxy)ethyl]piperidin-1-ium-4-carboxylate bromide
Also Known As: TA 51, 1-(2-(4-Biphenylyloxy)ethyl)-4-phenylisonipecotic acid ethyl ester hydrobromide, Isonipecotic acid, 1-(2-(4-biphenylyloxy)ethyl)-4-phenyl-, ethyl ester, hydrobromide, ETHYL 4-PHENYL-1-[2-(4-PHENYLPHENOXY)ETHYL]PIPERIDIN-1-IUM-4-CARBOXYLATEBROMIDE, ethyl 4-phenyl-1-[2-(4-phenylphenoxy)ethyl]piperidin-1-ium-4-carboxylate bromide
| Molecular Formula | C28H32BrNO3 |
|---|---|
| Molecular Weight | 509.16 g/mol |
| LogP | 0.92 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 509.15656 |
| Heavy Atoms | 33 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 103097-50-3 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CCOC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-] |
| InChIKey | MGWJPRPZJJFVAO-UHFFFAOYSA-N |
Product Overview
RefChem:349721 (CAS 103097-50-3), with molecular formula C28H32BrNO3 and molecular weight 509.16 g/mol. IUPAC: ethyl 4-phenyl-1-[2-(4-phenylphenoxy)ethyl]piperidin-1-ium-4-carboxylate bromide.
Chemical Property Profile of RefChem:349721
Property Insights of RefChem:349721
The XLogP value of 0.92 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349721. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:349721 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349721 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349721?
The CAS number of RefChem:349721 is 103097-50-3.
What is the molecular formula of RefChem:349721?
The molecular formula of RefChem:349721 is C28H32BrNO3.
What is the molecular weight of RefChem:349721?
The molecular weight of RefChem:349721 is 509.16 g/mol.
Where can I buy RefChem:349721?
You can request a quote for RefChem:349721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349721?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.