![12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione structure](/static/products/2156/21563-29-1.webp)
12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
TL;DR: 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS 21563-29-1) is a chemical compound with molecular formula C12H5BrO3 and molecular weight 275.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
Also Known As: 4-Bromobenzo[de]isochromene-1,3-dione, bromonaphtalic anhydride, 4-Bromo-1,8-naphthalic anhydride, 2-bromo-1,8-naphthalic anhydride, 8-bromo-1,8-naphthalic anhydride
| Molecular Formula | C12H5BrO3 |
|---|---|
| Molecular Weight | 275.94 g/mol |
| LogP | 2.9129 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 275.9422 |
| Heavy Atoms | 16 |
| Complexity | 645.9991 |
Chemical Identifiers
| CAS Number | 21563-29-1 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)OC(=O)C3=C(C=C2)Br |
Product Overview
12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS 21563-29-1), with molecular formula C12H5BrO3 and molecular weight 275.94 g/mol. IUPAC: 6-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione.
Chemical Property Profile of 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
Property Insights of 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
The XLogP value of 2.9129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione. With a topological polar surface area (TPSA) of 43.37 Ų, 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione has 0 hydrogen bond donor(s) and 3 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 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The CAS number of 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione is 21563-29-1.
What is the molecular formula of 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The molecular formula of 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione is C12H5BrO3.
What is the molecular weight of 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The molecular weight of 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione is 275.94 g/mol.
Where can I buy 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
You can request a quote for 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 12-Bromo-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.