![[12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate structure](/static/products/9864/98644-23-6.webp)
[12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate
TL;DR: [12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate (CAS 98644-23-6) is a chemical compound with molecular formula C20H16O5S and molecular weight 368.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[12-(hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate
Also Known As: 7,12-dihydroxymethylbenz anthracene7-sulfate, 7,12-Dihydroxymethylbenz(a)anthracene 7-sulfate, Sodium 7,12-dihydroxymethylbenz(a)anthracene-7-sulfate, [12-(hydroxymethyl)tetraphen-7-yl]methyl hydrogen sulfate, [12-(hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate
| Molecular Formula | C20H16O5S |
|---|---|
| Molecular Weight | 368.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.07184 |
| Heavy Atoms | 26 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 98644-23-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C(=C32)CO)COS(=O)(=O)O |
| InChIKey | SOEFYXBRJXBXCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate (CAS 98644-23-6), with molecular formula C20H16O5S and molecular weight 368.07 g/mol. IUPAC: [12-(hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate.
Chemical Property Profile of [12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate
Property Insights of [12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for [12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate. Following Lipinski's Rule of Five, [12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate has 2 hydrogen bond donor(s) and 5 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-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate?
The CAS number of [12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate is 98644-23-6.
What is the molecular formula of [12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate?
The molecular formula of [12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate is C20H16O5S.
What is the molecular weight of [12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate?
The molecular weight of [12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate is 368.07 g/mol.
Where can I buy [12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate?
You can request a quote for [12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for [12-(Hydroxymethyl)benzo[a]anthracen-7-yl]methyl hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.