6-Methylchrysene-1R,2S-diol-3S,4R-epoxide
TL;DR: 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide (CAS 111903-93-6) 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.
(3R,5S,6S,7R)-18-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: 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide, (+)-6-MeCDE, KST-1A0952, KST-1A0953, Choline, bromide, 10-phenothiazinecarboxylate
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=C(C=CC3=C2[C@@H]4[C@@H](O4)[C@H]([C@@H]3O)O)C5=CC=CC=C15 |
| InChIKey | PYPGXSRNRQKRQD-HCXYKTFWSA-N |
Chemical Property Profile of 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide
Property Insights of 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide. With a topological polar surface area (TPSA) of 53.0 Ų, 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide 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 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide?
The CAS number of 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide is 111903-93-6.
What is the molecular formula of 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide?
The molecular formula of 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide is C19H16O3.
What is the molecular weight of 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide?
The molecular weight of 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide is 292.10995 g/mol.
Where can I buy 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide?
You can request a quote for 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide?
Yes, CoreyChem provides custom synthesis services for 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.