9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl
TL;DR: 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl (CAS 58802-01-0) is a chemical compound with molecular formula C18H11BrO3 and molecular weight 353.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Also Known As: 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl, 1-Bromo-17-oxapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione, 1-Bromo-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
| Molecular Formula | C18H11BrO3 |
|---|---|
| Molecular Weight | 353.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 353.98917 |
| Heavy Atoms | 22 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 58802-01-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)Br)C(=O)OC4=O |
| InChIKey | FBWNJSWBLCJXRF-UHFFFAOYSA-N |
Product Overview
9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl (CAS 58802-01-0), with molecular formula C18H11BrO3 and molecular weight 353.99 g/mol. IUPAC: 1-bromo-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
Chemical Property Profile of 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl
Property Insights of 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl. With a topological polar surface area (TPSA) of 43.4 Ų, 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl 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 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl?
The CAS number of 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl is 58802-01-0.
What is the molecular formula of 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl?
The molecular formula of 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl is C18H11BrO3.
What is the molecular weight of 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl?
The molecular weight of 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl is 353.99 g/mol.
Where can I buy 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl?
You can request a quote for 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl?
Yes, KEHONG BIO provides custom synthesis services for 9-bromo-9,10-dihydro-9,10-ethano-anthracene-11,12-dicarboxyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.