rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol
TL;DR: rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol (CAS 81851-68-5) is a chemical compound with molecular formula C19H16O3 and molecular weight 292.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,5R,6R,7S)-19-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
Also Known As: 5-MeCDE, 5-Methylchrysene-1S,2R-diol-3R,4S-epoxide, 1,2-DETMC, 5-MeC-1,2-diol-3,4-epoxide, 5-methylchrysene-1,2-diol-3,4-epoxide
Technical Specifications
| Molecular Formula | C19H16O3 |
| Molecular Weight | 292.10995 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.10995 Da |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
| SMILES | CC1=CC2=CC=CC=C2C3=C1C4=C(C=C3)[C@@H]([C@H]([C@@H]5[C@H]4O5)O)O |
| InChIKey | ZSDQORKDUNMTQA-ZSYWTGECSA-N |
Chemical Property Profile of rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol
Property Insights of rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol. With a topological polar surface area (TPSA) of 53.0 Ų, rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol?
The CAS number of rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol is 81851-68-5.
What is the molecular formula of rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol?
The molecular formula of rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol is C19H16O3.
What is the molecular weight of rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol?
The molecular weight of rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol is 292.10995 g/mol.
Where can I buy rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol?
You can request a quote for rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol?
Yes, CoreyChem provides custom synthesis services for rel-(1R,2S,2aS,3aR)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.