4-Isocymobarbatol
TL;DR: 4-Isocymobarbatol (CAS 124962-12-5) is a chemical compound with molecular formula C16H20Br2O2 and molecular weight 401.983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7S,8aS,10aS)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
Also Known As: 4-Isocymobarbatol, 4-Isocymbarbatol, (7S,8aS,10aS)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol, 5(6)-(N-Succinimidyloxycarbonyl)-3',6',o,o'-diacetylfluorescein, (2S)-2beta,6-Dibromo-2,3,4,4a,9,9aalpha-hexahydro-1,1,4abeta-trimethyl-1H-xanthen-7-ol
Technical Specifications
| Molecular Formula | C16H20Br2O2 |
| Molecular Weight | 401.983 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 401.983 Da |
| Heavy Atoms | 20 |
| Complexity | 387.0 |
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC3=CC(=C(C=C3O2)Br)O)(C)C)Br |
| InChIKey | ALTFOIOEOXFNOO-DZKIICNBSA-N |
Chemical Property Profile of 4-Isocymobarbatol
Property Insights of 4-Isocymobarbatol
The XLogP value of 5.3 indicates that 4-Isocymobarbatol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 4-Isocymobarbatol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isocymobarbatol has 1 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 4-Isocymobarbatol?
The CAS number of 4-Isocymobarbatol is 124962-12-5.
What is the molecular formula of 4-Isocymobarbatol?
The molecular formula of 4-Isocymobarbatol is C16H20Br2O2.
What is the molecular weight of 4-Isocymobarbatol?
The molecular weight of 4-Isocymobarbatol is 401.983 g/mol.
Where can I buy 4-Isocymobarbatol?
You can request a quote for 4-Isocymobarbatol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Isocymobarbatol?
Yes, CoreyChem provides custom synthesis services for 4-Isocymobarbatol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.