(4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
TL;DR: (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene (CAS 118326-92-4) is a chemical compound with molecular formula C14H15BrO and molecular weight 278.03064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1aR,1bS,5aS,9bS)-8-bromo-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene
Also Known As: (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene, (1aR,1bS,5aS,9bS)-8-bromo-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene, 8-bromo-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene, Phenanthro[9,10-b]oxirene,8-bromo-1a,1b,2,3,4,5,5a,9b-octahydro-, (1aa,1bb,5aa,9ba)- (9CI)
Technical Specifications
| Molecular Formula | C14H15BrO |
| Molecular Weight | 278.03064 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.03064 Da |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
| SMILES | C1CC[C@H]2[C@H](C1)[C@@H]3[C@@H](O3)C4=C2C=CC(=C4)Br |
| InChIKey | MIDVMZDXCQOCLI-MWQHPAIMSA-N |
Chemical Property Profile of (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
Property Insights of (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
The XLogP value of 4.0 indicates that (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
The CAS number of (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene is 118326-92-4.
What is the molecular formula of (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
The molecular formula of (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene is C14H15BrO.
What is the molecular weight of (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
The molecular weight of (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene is 278.03064 g/mol.
Where can I buy (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
You can request a quote for (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
Yes, CoreyChem provides custom synthesis services for (4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.