1-Sulfooxymethylpyrene
TL;DR: 1-Sulfooxymethylpyrene (CAS 130965-73-0) is a chemical compound with molecular formula C17H12O4S and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyren-1-ylmethyl hydrogen sulfate
Also Known As: 1-Sulfooxymethylpyrene, 1-Hydroxymethylpyrene sulfate, 1-sulphooxymethylpyrene, pyren-1-ylmethyl hydrogen sulfate, 1-Pyrenemethanol,1-(hydrogen sulfate)
| Molecular Formula | C17H12O4S |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.04562 |
| Heavy Atoms | 22 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 130965-73-0 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)COS(=O)(=O)O |
| InChIKey | JEHJDOIFMGNIQI-UHFFFAOYSA-N |
Product Overview
1-Sulfooxymethylpyrene (CAS 130965-73-0), with molecular formula C17H12O4S and molecular weight 312.05 g/mol. IUPAC: pyren-1-ylmethyl hydrogen sulfate.
Chemical Property Profile of 1-Sulfooxymethylpyrene
Property Insights of 1-Sulfooxymethylpyrene
The XLogP value of 3.8 indicates that 1-Sulfooxymethylpyrene 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 1-Sulfooxymethylpyrene. Following Lipinski's Rule of Five, 1-Sulfooxymethylpyrene 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 1-Sulfooxymethylpyrene?
The CAS number of 1-Sulfooxymethylpyrene is 130965-73-0.
What is the molecular formula of 1-Sulfooxymethylpyrene?
The molecular formula of 1-Sulfooxymethylpyrene is C17H12O4S.
What is the molecular weight of 1-Sulfooxymethylpyrene?
The molecular weight of 1-Sulfooxymethylpyrene is 312.05 g/mol.
Where can I buy 1-Sulfooxymethylpyrene?
You can request a quote for 1-Sulfooxymethylpyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Sulfooxymethylpyrene?
Yes, KEHONG BIO provides custom synthesis services for 1-Sulfooxymethylpyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.