12-Methylbenz(a)anthracene-7-methanol
TL;DR: 12-Methylbenz(a)anthracene-7-methanol (CAS 568-75-2) is a chemical compound with molecular formula C20H16O and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12-methylbenzo[a]anthracen-7-yl)methanol
Also Known As: 7-Hydroxymethyl-12-methylbenz[a]anthracene, (12-methylbenzo[a]anthracen-7-yl)methanol, 7-Hydroxymethyl-12-methylbenz(a)anthracene, 7-(Hydroxymethyl)-12-methylbenz[a]anthracene, 7-HM-12-MBA
| Molecular Formula | C20H16O |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.12012 |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 568-75-2 |
|---|---|
| SMILES | CC1=C2C(=C(C3=CC=CC=C13)CO)C=CC4=CC=CC=C42 |
| InChIKey | JCBBZYDVQJQMMB-UHFFFAOYSA-N |
Product Overview
12-Methylbenz(a)anthracene-7-methanol (CAS 568-75-2), with molecular formula C20H16O and molecular weight 272.12 g/mol. IUPAC: (12-methylbenzo[a]anthracen-7-yl)methanol.
Chemical Property Profile of 12-Methylbenz(a)anthracene-7-methanol
Property Insights of 12-Methylbenz(a)anthracene-7-methanol
The XLogP value of 4.5 indicates that 12-Methylbenz(a)anthracene-7-methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 12-Methylbenz(a)anthracene-7-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Methylbenz(a)anthracene-7-methanol has 1 hydrogen bond donor(s) and 1 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 12-Methylbenz(a)anthracene-7-methanol?
The CAS number of 12-Methylbenz(a)anthracene-7-methanol is 568-75-2.
What is the molecular formula of 12-Methylbenz(a)anthracene-7-methanol?
The molecular formula of 12-Methylbenz(a)anthracene-7-methanol is C20H16O.
What is the molecular weight of 12-Methylbenz(a)anthracene-7-methanol?
The molecular weight of 12-Methylbenz(a)anthracene-7-methanol is 272.12 g/mol.
Where can I buy 12-Methylbenz(a)anthracene-7-methanol?
You can request a quote for 12-Methylbenz(a)anthracene-7-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Methylbenz(a)anthracene-7-methanol?
Yes, KEHONG BIO provides custom synthesis services for 12-Methylbenz(a)anthracene-7-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.