1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene
TL;DR: 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene (CAS 139562-15-5) is a chemical compound with molecular formula C20H18O3 and molecular weight 306.12558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,5R,6S,7R)-18,19-dimethyl-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: 5,6-Dimecde, 5,6-Dimec-1,2-diol-3,4-epoxide, 5,6-Dimethylchrysene-1,2-diol-3,4-epoxide, 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene, syn-5,6-Dimethylchrysene-1,2-diol-3,4-epoxide
Technical Specifications
| Molecular Formula | C20H18O3 |
| Molecular Weight | 306.12558 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.12558 Da |
| Heavy Atoms | 23 |
| Complexity | 480.0 |
| SMILES | CC1=C(C2=C(C=CC3=C2[C@H]4[C@H](O4)[C@H]([C@@H]3O)O)C5=CC=CC=C15)C |
| InChIKey | GTDVLOQPWWYRHL-FUMNGEBKSA-N |
Chemical Property Profile of 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene
Property Insights of 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene
The XLogP value of 3.0 indicates that 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene 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 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene?
The CAS number of 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene is 139562-15-5.
What is the molecular formula of 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene?
The molecular formula of 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene is C20H18O3.
What is the molecular weight of 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene?
The molecular weight of 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene is 306.12558 g/mol.
Where can I buy 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene?
You can request a quote for 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene?
Yes, CoreyChem provides custom synthesis services for 1,2-Dihydroxy-5,6-dimethyl-3,4-epoxy-1,2,3,4-tetrahydrochrysene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.