9-蒽甲基磺酸氢酯
TL;DR: 9-蒽甲基磺酸氢酯 (CAS 132769-76-7) is a chemical compound with molecular formula C15H12O4S and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-蒽甲基磺酸氢酯
anthracen-9-ylmethyl hydrogen sulfate
Also Known As: 9-Anthrylmethylsulfate, 9-(sulfooxymethyl)anthracene, Anthracen-9-ylmethyl hydrogen sulfate, 9-Anthracenemethanol, hydrogen sulfate, (Anthracen-9-yl)methyl hydrogen sulfate
| Molecular Formula | C15H12O4S |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.04562 |
| Heavy Atoms | 20 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 132769-76-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2COS(=O)(=O)O |
| InChIKey | QTWSHOHUSMETTJ-UHFFFAOYSA-N |
Product Overview
9-蒽甲基磺酸氢酯 (CAS 132769-76-7), with molecular formula C15H12O4S and molecular weight 288.05 g/mol. IUPAC: anthracen-9-ylmethyl hydrogen sulfate.
Chemical Property Profile of 9-蒽甲基磺酸氢酯
Property Insights of 9-蒽甲基磺酸氢酯
The XLogP value of 3.4 indicates that 9-蒽甲基磺酸氢酯 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 9-蒽甲基磺酸氢酯. Following Lipinski's Rule of Five, 9-蒽甲基磺酸氢酯 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 9-蒽甲基磺酸氢酯?
The CAS number of 9-蒽甲基磺酸氢酯 is 132769-76-7.
What is the molecular formula of 9-蒽甲基磺酸氢酯?
The molecular formula of 9-蒽甲基磺酸氢酯 is C15H12O4S.
What is the molecular weight of 9-蒽甲基磺酸氢酯?
The molecular weight of 9-蒽甲基磺酸氢酯 is 288.05 g/mol.
Where can I buy 9-蒽甲基磺酸氢酯?
You can request a quote for 9-蒽甲基磺酸氢酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-蒽甲基磺酸氢酯?
Yes, KEHONG BIO provides custom synthesis services for 9-蒽甲基磺酸氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.