Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
TL;DR: Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride (CAS 134871-17-3) is a chemical compound with molecular formula C22H26Br2ClNO3 and molecular weight 544.9968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(azepan-1-yl)ethyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate;hydrochloride
Also Known As: Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride, 2-(azepan-1-yl)ethyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate hydrochloride, 2-(azepan-1-yl)ethyl 2,2-bis(4-bromophenyl)-2-hydroxy-acetate Hydrochloride, 2-(Azepan-1-yl)ethyl bis(4-bromophenyl)(hydroxy)acetate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C22H26Br2ClNO3 |
| Molecular Weight | 544.9968 g/mol |
| XLogP | 5.2885 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 544.9968 Da |
| Heavy Atoms | 29 |
| Complexity | 458.0 |
| SMILES | C1CCCN(CC1)CCOC(=O)C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)O.Cl |
| InChIKey | NPMGTBYFSQFDOU-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
Property Insights of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
The XLogP value of 5.2885 indicates that Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)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-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride?
The CAS number of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride is 134871-17-3.
What is the molecular formula of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride?
The molecular formula of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride is C22H26Br2ClNO3.
What is the molecular weight of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride?
The molecular weight of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride is 544.9968 g/mol.
Where can I buy Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride?
You can request a quote for Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.