![5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate structure](/static/products/7238/7238-77-9.webp)
5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate
TL;DR: 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate (CAS 7238-77-9) is a chemical compound with molecular formula C23H29BrO7 and molecular weight 496.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,8,13,13-tetramethyl-6-oxo-2,5,7,12-tetraoxatricyclo[9.5.0.03,8]hexadecan-14-yl) 4-bromobenzoate
Also Known As: 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate
| Molecular Formula | C23H29BrO7 |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 4.7953 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 496.10968 |
| Heavy Atoms | 31 |
| Complexity | 853.9859 |
Chemical Identifiers
| CAS Number | 7238-77-9 |
|---|---|
| SMILES | CC1(C(CCC2(C(O1)CCC3(C(O2)COC(=O)O3)C)C)OC(=O)C4=CC=C(C=C4)Br)C |
Product Overview
5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate (CAS 7238-77-9), with molecular formula C23H29BrO7 and molecular weight 496.11 g/mol. IUPAC: (1,8,13,13-tetramethyl-6-oxo-2,5,7,12-tetraoxatricyclo[9.5.0.03,8]hexadecan-14-yl) 4-bromobenzoate.
Chemical Property Profile of 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate
Property Insights of 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate
The XLogP value of 4.7953 indicates that 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate. Following Lipinski's Rule of Five, 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate has 0 hydrogen bond donor(s) and 7 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 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate?
The CAS number of 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate is 7238-77-9.
What is the molecular formula of 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate?
The molecular formula of 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate is C23H29BrO7.
What is the molecular weight of 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate?
The molecular weight of 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate is 496.11 g/mol.
Where can I buy 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate?
You can request a quote for 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5a,9,9,12a-Tetramethyl-2-oxodecahydro-2H,4H-[1,3]dioxino[5,4-b]oxepino[2,3-f]oxepin-8-yl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.