3-Hydroxymethylcholanthrene
TL;DR: 3-Hydroxymethylcholanthrene (CAS 3343-05-3) is a chemical compound with molecular formula C21H16O and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dihydrobenzo[j]aceanthrylen-3-ylmethanol
Also Known As: 3-Hydroxymethylcholanthrene, 3-Ohmc, Cholanthrene-3-methanol, 3-hydroxymethyl-cholanthrene, {1H,2H-benzo[j]aceanthrylen-3-yl}methanol
| Molecular Formula | C21H16O |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.12012 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 3343-05-3 |
|---|---|
| SMILES | C1CC2=C3C1=C(C=CC3=CC4=C2C=CC5=CC=CC=C54)CO |
| InChIKey | ONZZUTGSANXYMB-UHFFFAOYSA-N |
Product Overview
3-Hydroxymethylcholanthrene (CAS 3343-05-3), with molecular formula C21H16O and molecular weight 284.12 g/mol. IUPAC: 1,2-dihydrobenzo[j]aceanthrylen-3-ylmethanol.
Chemical Property Profile of 3-Hydroxymethylcholanthrene
Property Insights of 3-Hydroxymethylcholanthrene
The XLogP value of 5.2 indicates that 3-Hydroxymethylcholanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Hydroxymethylcholanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxymethylcholanthrene has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Hydroxymethylcholanthrene?
The CAS number of 3-Hydroxymethylcholanthrene is 3343-05-3.
What is the molecular formula of 3-Hydroxymethylcholanthrene?
The molecular formula of 3-Hydroxymethylcholanthrene is C21H16O.
What is the molecular weight of 3-Hydroxymethylcholanthrene?
The molecular weight of 3-Hydroxymethylcholanthrene is 284.12 g/mol.
Where can I buy 3-Hydroxymethylcholanthrene?
You can request a quote for 3-Hydroxymethylcholanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxymethylcholanthrene?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxymethylcholanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.