9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene
TL;DR: 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene (CAS 90027-32-0) is a chemical compound with molecular formula C21H18O3 and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-methyl-9-oxahexacyclo[12.6.1.02,12.05,11.08,10.018,21]henicosa-1(21),2(12),3,5(11),13,15,17-heptaene-6,7-diol
Also Known As: DHEO-MC, 3-Mca-anti-9,10-diol-7,8-epoxide, 4a-Carbinolamine tetrahydrobiopterin, 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene, 3-methylcholanthrene-9,10-dihydrodiol-7,8-epoxide
| Molecular Formula | C21H18O3 |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 318.12558 |
| Heavy Atoms | 24 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 90027-32-0 |
|---|---|
| SMILES | CC1=C2CCC3=C2C(=CC4=C3C=CC5=C4C6C(O6)C(C5O)O)C=C1 |
| InChIKey | IVHWSXJFXWPPMY-UHFFFAOYSA-N |
Product Overview
9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene (CAS 90027-32-0), with molecular formula C21H18O3 and molecular weight 318.13 g/mol. IUPAC: 17-methyl-9-oxahexacyclo[12.6.1.02,12.05,11.08,10.018,21]henicosa-1(21),2(12),3,5(11),13,15,17-heptaene-6,7-diol.
Chemical Property Profile of 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene
Property Insights of 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene. With a topological polar surface area (TPSA) of 53.0 Ų, 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene 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 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene?
The CAS number of 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene is 90027-32-0.
What is the molecular formula of 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene?
The molecular formula of 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene is C21H18O3.
What is the molecular weight of 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene?
The molecular weight of 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene is 318.13 g/mol.
Where can I buy 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene?
You can request a quote for 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dihydroxy-7,8-epoxy-7,8,9,10-tetrahydro-3-methylcholanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.