苯并(a)芘基-1-硫酸酯
TL;DR: 苯并(a)芘基-1-硫酸酯 (CAS 6633-93-8) is a chemical compound with molecular formula C20H12O4S and molecular weight 348.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯并(a)芘基-1-硫酸酯
benzo[a]pyren-1-yl hydrogen sulfate
Also Known As: Benzo(a)pyrenyl-1-sulfate, Benzo(a)pyrene-1-sulfate, benzo pyrenyl-1-sulfate, benzo[a]pyrene-1-sulfate, Benzo[a]pyren-1-ol sulfate
| Molecular Formula | C20H12O4S |
|---|---|
| Molecular Weight | 348.05 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.04562 |
| Heavy Atoms | 25 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 6633-93-8 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=C(C=C5)OS(=O)(=O)O)C=C3 |
| InChIKey | HMRCUZKZSWJZCY-UHFFFAOYSA-N |
Product Overview
苯并(a)芘基-1-硫酸酯 (CAS 6633-93-8), with molecular formula C20H12O4S and molecular weight 348.05 g/mol. IUPAC: benzo[a]pyren-1-yl hydrogen sulfate.
Chemical Property Profile of 苯并(a)芘基-1-硫酸酯
Property Insights of 苯并(a)芘基-1-硫酸酯
The XLogP value of 5.3 indicates that 苯并(a)芘基-1-硫酸酯 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 苯并(a)芘基-1-硫酸酯. Following Lipinski's Rule of Five, 苯并(a)芘基-1-硫酸酯 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 苯并(a)芘基-1-硫酸酯?
The CAS number of 苯并(a)芘基-1-硫酸酯 is 6633-93-8.
What is the molecular formula of 苯并(a)芘基-1-硫酸酯?
The molecular formula of 苯并(a)芘基-1-硫酸酯 is C20H12O4S.
What is the molecular weight of 苯并(a)芘基-1-硫酸酯?
The molecular weight of 苯并(a)芘基-1-硫酸酯 is 348.05 g/mol.
Where can I buy 苯并(a)芘基-1-硫酸酯?
You can request a quote for 苯并(a)芘基-1-硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯并(a)芘基-1-硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for 苯并(a)芘基-1-硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.