11-Bromo-2,12-dioxobeyeran-3-yl acetate
TL;DR: 11-Bromo-2,12-dioxobeyeran-3-yl acetate (CAS 7232-13-5) is a chemical compound with molecular formula C22H31BrO4 and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-bromo-5,5,9,13-tetramethyl-7,12-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate
Also Known As: 11-Bromo-2,12-dioxobeyeran-3-yl acetate
| Molecular Formula | C22H31BrO4 |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 4.4724 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 438.14056 |
| Heavy Atoms | 27 |
| Complexity | 729.8244 |
Chemical Identifiers
| CAS Number | 7232-13-5 |
|---|---|
| SMILES | CC(=O)OC1C(=O)CC2(C(C1(C)C)CCC34C2C(C(=O)C(C3)(CC4)C)Br)C |
Product Overview
11-Bromo-2,12-dioxobeyeran-3-yl acetate (CAS 7232-13-5), with molecular formula C22H31BrO4 and molecular weight 438.14 g/mol. IUPAC: (11-bromo-5,5,9,13-tetramethyl-7,12-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate.
Chemical Property Profile of 11-Bromo-2,12-dioxobeyeran-3-yl acetate
Property Insights of 11-Bromo-2,12-dioxobeyeran-3-yl acetate
The XLogP value of 4.4724 indicates that 11-Bromo-2,12-dioxobeyeran-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-Bromo-2,12-dioxobeyeran-3-yl acetate. Following Lipinski's Rule of Five, 11-Bromo-2,12-dioxobeyeran-3-yl acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-Bromo-2,12-dioxobeyeran-3-yl acetate?
The CAS number of 11-Bromo-2,12-dioxobeyeran-3-yl acetate is 7232-13-5.
What is the molecular formula of 11-Bromo-2,12-dioxobeyeran-3-yl acetate?
The molecular formula of 11-Bromo-2,12-dioxobeyeran-3-yl acetate is C22H31BrO4.
What is the molecular weight of 11-Bromo-2,12-dioxobeyeran-3-yl acetate?
The molecular weight of 11-Bromo-2,12-dioxobeyeran-3-yl acetate is 438.14 g/mol.
Where can I buy 11-Bromo-2,12-dioxobeyeran-3-yl acetate?
You can request a quote for 11-Bromo-2,12-dioxobeyeran-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Bromo-2,12-dioxobeyeran-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 11-Bromo-2,12-dioxobeyeran-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.