1,2-Dihydroxy-6-methylchrysene
TL;DR: 1,2-Dihydroxy-6-methylchrysene (CAS 77691-03-3) is a chemical compound with molecular formula C19H16O2 and molecular weight 276.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R)-6-methyl-1,2-dihydrochrysene-1,2-diol
Also Known As: 6-Mec-1,2-diol, 1,2-Dihydroxy-6-methylchrysene, KST-1B8550, 1,2-Chrysenediol, 1,2-dihydro-6-methyl-, trans-, 6-METHYLCHRYSENE-1,2-DIOL
| Molecular Formula | C19H16O2 |
|---|---|
| Molecular Weight | 276.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.11502 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 77691-03-3 |
|---|---|
| SMILES | CC1=CC2=C(C=CC3=C2C=C[C@H]([C@@H]3O)O)C4=CC=CC=C14 |
| InChIKey | FBTQOHSCSMDZOV-RTBURBONSA-N |
Product Overview
1,2-Dihydroxy-6-methylchrysene (CAS 77691-03-3), with molecular formula C19H16O2 and molecular weight 276.12 g/mol. IUPAC: (1R,2R)-6-methyl-1,2-dihydrochrysene-1,2-diol.
Chemical Property Profile of 1,2-Dihydroxy-6-methylchrysene
Property Insights of 1,2-Dihydroxy-6-methylchrysene
The XLogP value of 3.6 indicates that 1,2-Dihydroxy-6-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, 1,2-Dihydroxy-6-methylchrysene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dihydroxy-6-methylchrysene has 2 hydrogen bond donor(s) and 2 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 1,2-Dihydroxy-6-methylchrysene?
The CAS number of 1,2-Dihydroxy-6-methylchrysene is 77691-03-3.
What is the molecular formula of 1,2-Dihydroxy-6-methylchrysene?
The molecular formula of 1,2-Dihydroxy-6-methylchrysene is C19H16O2.
What is the molecular weight of 1,2-Dihydroxy-6-methylchrysene?
The molecular weight of 1,2-Dihydroxy-6-methylchrysene is 276.12 g/mol.
Where can I buy 1,2-Dihydroxy-6-methylchrysene?
You can request a quote for 1,2-Dihydroxy-6-methylchrysene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dihydroxy-6-methylchrysene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydroxy-6-methylchrysene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.