Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride
TL;DR: Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride (CAS 134871-13-9) is a chemical compound with molecular formula C21H24Br2ClNO3 and molecular weight 530.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ylethyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate;hydrochloride
Also Known As: Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride, 2-Piperidinoethyl 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxybenzeneacetate hydrochloride, 2-piperidin-1-ylethyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate hydrochloride, 2-(Piperidin-1-yl)ethyl bis(4-bromophenyl)(hydroxy)acetate--hydrogen chloride (1/1), RefChem:324217
| Molecular Formula | C21H24Br2ClNO3 |
|---|---|
| Molecular Weight | 530.98 g/mol |
| LogP | 4.8984 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.98114 |
| Heavy Atoms | 28 |
| Complexity | 716.7251 |
Chemical Identifiers
| CAS Number | 134871-13-9 |
|---|---|
| SMILES | C1CCN(CC1)CCOC(=O)C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)O.Cl |
Product Overview
Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride (CAS 134871-13-9), with molecular formula C21H24Br2ClNO3 and molecular weight 530.98 g/mol. IUPAC: 2-piperidin-1-ylethyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate;hydrochloride.
Chemical Property Profile of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride
Property Insights of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride
The XLogP value of 4.8984 indicates that Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride 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 Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride?
The CAS number of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride is 134871-13-9.
What is the molecular formula of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride?
The molecular formula of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride is C21H24Br2ClNO3.
What is the molecular weight of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride?
The molecular weight of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride is 530.98 g/mol.
Where can I buy Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride?
You can request a quote for Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(1-piperidinyl)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.