1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene
TL;DR: 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene (CAS 6628-05-3) is a chemical compound with molecular formula C19H16O3 and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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-Mecde, 6-Mec-1,2-diol-3,4-epoxide, 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene, 6-Methylchrysene-1R,2S-diol-3S,4R-epoxide, Choline, bromide, 10-phenothiazinecarboxylate
| Molecular Formula | C19H16O3 |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.10995 |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 6628-05-3 |
|---|---|
| SMILES | CC1=CC2=C(C=CC3=C2C4C(O4)C(C3O)O)C5=CC=CC=C15 |
| InChIKey | PYPGXSRNRQKRQD-UHFFFAOYSA-N |
Product Overview
1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene (CAS 6628-05-3), with molecular formula C19H16O3 and molecular weight 292.11 g/mol. IUPAC: 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.
Chemical Property Profile of 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene
Property Insights of 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene. With a topological polar surface area (TPSA) of 53.0 Ų, 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-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 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene?
The CAS number of 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene is 6628-05-3.
What is the molecular formula of 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene?
The molecular formula of 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene is C19H16O3.
What is the molecular weight of 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene?
The molecular weight of 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene is 292.11 g/mol.
Where can I buy 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene?
You can request a quote for 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-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-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-6-methylchrysene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.