1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene
TL;DR: 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene (CAS 65831-43-8) 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.
3-methyl-1,2,9,10-tetrahydrobenzo[j]aceanthrylene-1,9,10-triol
Also Known As: 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene, Cholanthrene-1,9,10-triol, 9,10-dihydro-3-methyl-, Benz(j)aceanthrylene-1,9,10-triol, 1,2,9,10-tetrahydro-3-methyl-, 1,2,9,10-Tetrahydro-3-methylbenz[j]aceanthrylene-1,9,10-triol, 3-methyl-1,2,9,10-tetrahydrobenzo[j]aceanthrylene-1,9,10-triol
| Molecular Formula | C21H18O3 |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 318.12558 |
| Heavy Atoms | 24 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 65831-43-8 |
|---|---|
| SMILES | CC1=C2CC(C3=C2C(=CC4=C3C=CC5=C4C=CC(C5O)O)C=C1)O |
| InChIKey | HCAPYAKTGHZBKU-UHFFFAOYSA-N |
Product Overview
1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene (CAS 65831-43-8), with molecular formula C21H18O3 and molecular weight 318.13 g/mol. IUPAC: 3-methyl-1,2,9,10-tetrahydrobenzo[j]aceanthrylene-1,9,10-triol.
Chemical Property Profile of 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene
Property Insights of 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene. Following Lipinski's Rule of Five, 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene has 3 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 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene?
The CAS number of 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene is 65831-43-8.
What is the molecular formula of 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene?
The molecular formula of 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene is C21H18O3.
What is the molecular weight of 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene?
The molecular weight of 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene is 318.13 g/mol.
Where can I buy 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene?
You can request a quote for 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene?
Yes, KEHONG BIO provides custom synthesis services for 1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.