6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester
TL;DR: 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester (CAS 52775-94-7) is a chemical compound with molecular formula C22H20Br2O4 and molecular weight 505.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzhydryl 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylate
Also Known As: 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester, benzhydryl 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylate, Diphenylmethyl 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylate, BRN 1404396, RefChem:309266
| Molecular Formula | C22H20Br2O4 |
|---|---|
| Molecular Weight | 505.97 g/mol |
| LogP | 4.5943 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.97284 |
| Heavy Atoms | 28 |
| Complexity | 879.1487 |
Chemical Identifiers
| CAS Number | 52775-94-7 |
|---|---|
| SMILES | CC12C(C(C(=O)C1(O2)C)(CBr)Br)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester (CAS 52775-94-7), with molecular formula C22H20Br2O4 and molecular weight 505.97 g/mol. IUPAC: benzhydryl 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylate.
Chemical Property Profile of 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester
Property Insights of 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester
The XLogP value of 4.5943 indicates that 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.9 Ų, 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester has 0 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 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester?
The CAS number of 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester is 52775-94-7.
What is the molecular formula of 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester?
The molecular formula of 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester is C22H20Br2O4.
What is the molecular weight of 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester?
The molecular weight of 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester is 505.97 g/mol.
Where can I buy 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester?
You can request a quote for 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxabicyclo(3.1.0)hexane-2-carboxylic acid, 3-bromo-3-(bromomethyl)-1,5-dimethyl-4-oxo-, diphenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.