Rotalin B
TL;DR: Rotalin B (CAS 119979-80-5) is a chemical compound with molecular formula C20H33BrO2 and molecular weight 384.16638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,4S,6S,11S,14S)-14-bromo-9-ethenyl-4,9,11,15,15-pentamethyl-5,10-dioxatricyclo[9.4.0.04,6]pentadecane
Also Known As: Rotalin B, WJKFHIRVWBSMNS-BBEBHDDQSA-, 2H-Oxireno(e)(1)benzoxecin, 8-bromo-4-ethenyldodecahydro-4,5a,9,9,11a- pentamethyl-, 8-Bromo-4-ethenyl-4,5a,9,9,11a-pentamethyldodecahydro-2H-oxireno[e][1]benzoxecine, (1aS,5aS,8S,9aS,11aS)-8-Bromo-4-ethenyl-4,5a,9,9,11a-pentamethyldodecahydro-2H-oxireno[e][1]benzoxecine
Technical Specifications
| Molecular Formula | C20H33BrO2 |
| Molecular Weight | 384.16638 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 21.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.16638 Da |
| Heavy Atoms | 23 |
| Complexity | 490.0 |
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@]3([C@@H](O3)CCC(O2)(C)C=C)C)(C)C)Br |
| InChIKey | WJKFHIRVWBSMNS-BBEBHDDQSA-N |
Chemical Property Profile of Rotalin B
Property Insights of Rotalin B
The XLogP value of 5.1 indicates that Rotalin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.8 Ų, Rotalin B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rotalin B has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Rotalin B?
The CAS number of Rotalin B is 119979-80-5.
What is the molecular formula of Rotalin B?
The molecular formula of Rotalin B is C20H33BrO2.
What is the molecular weight of Rotalin B?
The molecular weight of Rotalin B is 384.16638 g/mol.
Where can I buy Rotalin B?
You can request a quote for Rotalin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Rotalin B?
Yes, CoreyChem provides custom synthesis services for Rotalin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.