Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride
TL;DR: Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride (CAS 134871-18-4) is a chemical compound with molecular formula C23H28Br2ClNO3 and molecular weight 559.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-yl)propyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate;hydrochloride
Also Known As: Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride, 3-(azepan-1-yl)propyl 2,2-bis(4-bromophenyl)-2-hydroxy-acetate Hydrochloride, 3-(azepan-1-yl)propyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate hydrochloride, 3-(Azepan-1-yl)propyl bis(4-bromophenyl)(hydroxy)acetate--hydrogen chloride (1/1), RefChem:324226
| Molecular Formula | C23H28Br2ClNO3 |
|---|---|
| Molecular Weight | 559.01 g/mol |
| LogP | 5.6786 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 559.01245 |
| Heavy Atoms | 30 |
| Complexity | 745.60046 |
Chemical Identifiers
| CAS Number | 134871-18-4 |
|---|---|
| SMILES | C1CCCN(CC1)CCCOC(=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-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride (CAS 134871-18-4), with molecular formula C23H28Br2ClNO3 and molecular weight 559.01 g/mol. IUPAC: 3-(azepan-1-yl)propyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate;hydrochloride.
Chemical Property Profile of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride
Property Insights of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride
The XLogP value of 5.6786 indicates that Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl 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-, 3-(hexahydro-1H-azepin-1-yl)propyl 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-, 3-(hexahydro-1H-azepin-1-yl)propyl 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-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride?
The CAS number of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride is 134871-18-4.
What is the molecular formula of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride?
The molecular formula of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride is C23H28Br2ClNO3.
What is the molecular weight of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride?
The molecular weight of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride is 559.01 g/mol.
Where can I buy Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride?
You can request a quote for Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl 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-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.