2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one
TL;DR: 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one (CAS 143216-84-6) is a chemical compound with molecular formula C17H15BrO4 and molecular weight 362.01538 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,3S,4R)-2-bromo-1,3,4-trihydroxy-1,2,3,4,15,16-hexahydrocyclopenta[a]phenanthren-17-one
Also Known As: 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one, 17H-Cyclopenta(a)phenanthren-17-one, 2-bromo-1,2,3,4,15,16-hexahydro-1,3,4-trihydroxy-, (1alpha,2beta,3beta,4alpha)-(+-)-, 2alpha-Bromo-1beta,3alpha,4beta-trihydroxygona-5,7,9,11,13-pentaen-17-one, (1R,2S,3S,4S)-2-bromo-1,3,4-trihydroxy-1,2,3,4,15,16-hexahydrocyclopenta[a]phenanthren-17-one, (1S,2R,3S,4R)-2-bromo-1,3,4-trihydroxy-1,2,3,4,15,16-hexahydrocyclopenta[a]phenanthren-17-one
Technical Specifications
| Molecular Formula | C17H15BrO4 |
| Molecular Weight | 362.01538 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 362.01538 Da |
| Heavy Atoms | 22 |
| Complexity | 470.0 |
| SMILES | C1CC(=O)C2=C1C3=C(C=C2)C4=C(C=C3)[C@H]([C@@H]([C@@H]([C@H]4O)Br)O)O |
| InChIKey | XYCQQVGAKQKJOX-WCXIOVBPSA-N |
Chemical Property Profile of 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one
Property Insights of 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one. Following Lipinski's Rule of Five, 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one?
The CAS number of 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one is 143216-84-6.
What is the molecular formula of 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one?
The molecular formula of 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one is C17H15BrO4.
What is the molecular weight of 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one?
The molecular weight of 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one is 362.01538 g/mol.
Where can I buy 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one?
You can request a quote for 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-1,3,4-trihydroxygona-5,7,9,11,13-pentaen-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.