20-Methylcholanthrene picrate
TL;DR: 20-Methylcholanthrene picrate (CAS 63041-80-5) is a chemical compound with molecular formula C27H19N3O9 and molecular weight 529.11 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;2,4,6-trinitrophenol
Also Known As: 20-Methylcholanthrene picrate, 3-Methylcholanthrene compd. with picric acid (1:1), C21-H16.C6-H3-N3-O7, Picric acid, compd. with 3-methylcholanthrene (1:1), 2,4,6-Trinitrophenol compd. with 1,2-dihydro-3-methylbenz(j)aceanthrylene
| Molecular Formula | C27H19N3O9 |
|---|---|
| Molecular Weight | 529.11 g/mol |
| LogP | 5.65 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 529.1121 |
| Heavy Atoms | 39 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 63041-80-5 |
|---|---|
| SMILES | CC1=C2C(C(C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RHOJZLWOEBOBKP-UHFFFAOYSA-N |
Product Overview
20-Methylcholanthrene picrate (CAS 63041-80-5), with molecular formula C27H19N3O9 and molecular weight 529.11 g/mol. IUPAC: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol;2,4,6-trinitrophenol.
Chemical Property Profile of 20-Methylcholanthrene picrate
Property Insights of 20-Methylcholanthrene picrate
The XLogP value of 5.65 indicates that 20-Methylcholanthrene picrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting 20-Methylcholanthrene picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 20-Methylcholanthrene picrate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 20-Methylcholanthrene picrate?
The CAS number of 20-Methylcholanthrene picrate is 63041-80-5.
What is the molecular formula of 20-Methylcholanthrene picrate?
The molecular formula of 20-Methylcholanthrene picrate is C27H19N3O9.
What is the molecular weight of 20-Methylcholanthrene picrate?
The molecular weight of 20-Methylcholanthrene picrate is 529.11 g/mol.
Where can I buy 20-Methylcholanthrene picrate?
You can request a quote for 20-Methylcholanthrene picrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-Methylcholanthrene picrate?
Yes, KEHONG BIO provides custom synthesis services for 20-Methylcholanthrene picrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.