3-甲基胆蒽
TL;DR: 3-甲基胆蒽 (CAS 56-49-5) is a chemical compound with molecular formula C21H16 and molecular weight 268.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基胆蒽
3-methyl-1,2-dihydrobenzo[j]aceanthrylene
Also Known As: 3-methylcholanthrene, Methylcholanthrene, 20-Methylcholanthrene, 3-Methoxycholanthrene, 3-MC
| Molecular Formula | C21H16 |
|---|---|
| Molecular Weight | 268.13 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.1252 |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
| Melting Point | 354 to 180.0 °C |
| Boiling Point | 280.0 °C at 80 mmHg |
| Density | 1.28 at 20.0 °C |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| Vapor Pressure | 6.85e-07 mmHg at 20.0 °C |
Chemical Identifiers
| CAS Number | 56-49-5 |
|---|---|
| SMILES | CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1 |
| InChIKey | PPQNQXQZIWHJRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基胆蒽 (CAS 56-49-5), with molecular formula C21H16 and molecular weight 268.13 g/mol. IUPAC: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene.
Chemical Property Profile of 3-甲基胆蒽
Property Insights of 3-甲基胆蒽
The XLogP value of 6.4 indicates that 3-甲基胆蒽 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-甲基胆蒽 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基胆蒽 has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-甲基胆蒽?
The CAS number of 3-甲基胆蒽 is 56-49-5.
What is the molecular formula of 3-甲基胆蒽?
The molecular formula of 3-甲基胆蒽 is C21H16.
What is the molecular weight of 3-甲基胆蒽?
The molecular weight of 3-甲基胆蒽 is 268.13 g/mol.
Where can I buy 3-甲基胆蒽?
You can request a quote for 3-甲基胆蒽 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基胆蒽?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基胆蒽 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.