1,2-Dihydroxy-3-methylcholanthrene
TL;DR: 1,2-Dihydroxy-3-methylcholanthrene (CAS 64398-48-7) is a chemical compound with molecular formula C21H16O2 and molecular weight 300.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol
Also Known As: 1,2-Dihydroxy-3-methylcholanthrene, 1,2-Dihydro-3-methylbenz(j)aceanthrylenediol, Benz(j)aceanthrylenediol, 1,2-dihydro-3-methyl-, 1,2-Dihydro-3-methylbenz[j]aceanthrylene-1,2-diol, 3-Methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol
| Molecular Formula | C21H16O2 |
|---|---|
| Molecular Weight | 300.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 300.11502 |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 64398-48-7 |
|---|---|
| SMILES | CC1=C2C(C(C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)O)O |
| InChIKey | MSPGUHVGYWHMPY-UHFFFAOYSA-N |
Product Overview
1,2-Dihydroxy-3-methylcholanthrene (CAS 64398-48-7), with molecular formula C21H16O2 and molecular weight 300.12 g/mol. IUPAC: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol.
Chemical Property Profile of 1,2-Dihydroxy-3-methylcholanthrene
Property Insights of 1,2-Dihydroxy-3-methylcholanthrene
The XLogP value of 4.2 indicates that 1,2-Dihydroxy-3-methylcholanthrene 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-3-methylcholanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dihydroxy-3-methylcholanthrene 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-3-methylcholanthrene?
The CAS number of 1,2-Dihydroxy-3-methylcholanthrene is 64398-48-7.
What is the molecular formula of 1,2-Dihydroxy-3-methylcholanthrene?
The molecular formula of 1,2-Dihydroxy-3-methylcholanthrene is C21H16O2.
What is the molecular weight of 1,2-Dihydroxy-3-methylcholanthrene?
The molecular weight of 1,2-Dihydroxy-3-methylcholanthrene is 300.12 g/mol.
Where can I buy 1,2-Dihydroxy-3-methylcholanthrene?
You can request a quote for 1,2-Dihydroxy-3-methylcholanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dihydroxy-3-methylcholanthrene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydroxy-3-methylcholanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.