5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy-
TL;DR: 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy- (CAS 3940-48-5) is a chemical compound with molecular formula C11H6Br2O5 and molecular weight 375.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-dibromo-2,3,4,6-tetrahydroxybenzo[7]annulen-5-one
Also Known As: 3,6-dibromo-purpurogallin, 3,6-dibromo-purpurogallin [M+H]+, 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy-, 1,7-dibromo-2,3,4,6-tetrahydroxybenzo[7]annulen-5-one, 1,7-Dibromo-2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one
| Molecular Formula | C11H6Br2O5 |
|---|---|
| Molecular Weight | 375.86 g/mol |
| LogP | 2.5474 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 375.8582 |
| Heavy Atoms | 18 |
| Complexity | 727.0875 |
Chemical Identifiers
| CAS Number | 3940-48-5 |
|---|---|
| SMILES | C1=CC(=C(C(=O)C2=C1C(=C(C(=C2O)O)O)Br)O)Br |
Product Overview
5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy- (CAS 3940-48-5), with molecular formula C11H6Br2O5 and molecular weight 375.86 g/mol. IUPAC: 1,7-dibromo-2,3,4,6-tetrahydroxybenzo[7]annulen-5-one.
Chemical Property Profile of 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy-
Property Insights of 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy-
The XLogP value of 2.5474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy-. The TPSA of 97.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy-. Following Lipinski's Rule of Five, 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy- has 4 hydrogen bond donor(s) and 5 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 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy-?
The CAS number of 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy- is 3940-48-5.
What is the molecular formula of 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy-?
The molecular formula of 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy- is C11H6Br2O5.
What is the molecular weight of 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy-?
The molecular weight of 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy- is 375.86 g/mol.
Where can I buy 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy-?
You can request a quote for 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 5H-Benzocyclohepten-5-one, 1,7-dibromo-2,3,4,6-tetrahydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.