![7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate structure](/static/products/8073/80733-96-6.webp)
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
TL;DR: 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate (CAS 80733-96-6) is a chemical compound with molecular formula C20H16O4S and molecular weight 352.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12-methylbenzo[a]anthracen-7-yl)methyl hydrogen sulfate
Also Known As: 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate, 7-sulfooxymethyl-12-methylbenz[a]anthracene, (12-methylbenzo[a]anthracen-7-yl)methyl hydrogen sulfate, [(12-methyltetraphen-7-yl)methoxy]sulfonic acid, (12-Methyltetraphen-7-yl)methyl hydrogen sulfate
| Molecular Formula | C20H16O4S |
|---|---|
| Molecular Weight | 352.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.07693 |
| Heavy Atoms | 25 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 80733-96-6 |
|---|---|
| SMILES | CC1=C2C(=C(C3=CC=CC=C13)COS(=O)(=O)O)C=CC4=CC=CC=C42 |
| InChIKey | WYUDBEMLROEPHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate (CAS 80733-96-6), with molecular formula C20H16O4S and molecular weight 352.08 g/mol. IUPAC: (12-methylbenzo[a]anthracen-7-yl)methyl hydrogen sulfate.
Chemical Property Profile of 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Property Insights of 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
The XLogP value of 4.2 indicates that 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate. Following Lipinski's Rule of Five, 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate has 1 hydrogen bond donor(s) and 4 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 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate?
The CAS number of 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate is 80733-96-6.
What is the molecular formula of 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate?
The molecular formula of 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate is C20H16O4S.
What is the molecular weight of 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate?
The molecular weight of 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate is 352.08 g/mol.
Where can I buy 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate?
You can request a quote for 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.