7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene
TL;DR: 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene (CAS 98577-44-7) is a chemical compound with molecular formula C19H15FO2 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R)-6-fluoro-11-methyl-1,2-dihydrochrysene-1,2-diol
Also Known As: 12-F-5-Mec-7,8-diol, 1,2-Chrysenediol, 6-fluoro-1,2-dihydro-11-methyl-, trans-, KST-1B9528, 2-allyl-4-nitro-isoindoline-1,3-dione, (1R,2R)-6-fluoro-11-methyl-1,2-dihydrochrysene-1,2-diol
| Molecular Formula | C19H15FO2 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 294.10562 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 98577-44-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C[C@H]([C@@H]2O)O)C3=C1C4=CC=CC=C4C(=C3)F |
| InChIKey | XSAGGPWJWXETMI-IEBWSBKVSA-N |
Product Overview
7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene (CAS 98577-44-7), with molecular formula C19H15FO2 and molecular weight 294.11 g/mol. IUPAC: (1R,2R)-6-fluoro-11-methyl-1,2-dihydrochrysene-1,2-diol.
Chemical Property Profile of 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene
Property Insights of 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene
The XLogP value of 3.7 indicates that 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene 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
Frequently Asked Questions
What is the CAS number of 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene?
The CAS number of 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene is 98577-44-7.
What is the molecular formula of 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene?
The molecular formula of 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene is C19H15FO2.
What is the molecular weight of 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene?
The molecular weight of 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene is 294.11 g/mol.
Where can I buy 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene?
You can request a quote for 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dihydro-7,8-dihydroxy-12-fluoro-5-methylchrysene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.