Benzo(a)pyrene-7-sulfate
TL;DR: Benzo(a)pyrene-7-sulfate (CAS 63785-42-2) 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.
benzo[a]pyren-7-yl hydrogen sulfate
Also Known As: iodonaphthylazide, Benzo(a)pyrene-7-sulfate, Benzo(a)pyrenyl-7-sulfate, benzo[a]pyren-7-yl hydrogen sulfate, BENZO[A]PYRENE-7-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 | 63785-42-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC=C5OS(=O)(=O)O)C=C2 |
| InChIKey | MOHHQIRDSANJJN-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene-7-sulfate (CAS 63785-42-2), with molecular formula C20H12O4S and molecular weight 348.05 g/mol. IUPAC: benzo[a]pyren-7-yl hydrogen sulfate.
Chemical Property Profile of Benzo(a)pyrene-7-sulfate
Property Insights of Benzo(a)pyrene-7-sulfate
The XLogP value of 5.3 indicates that Benzo(a)pyrene-7-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 Benzo(a)pyrene-7-sulfate. Following Lipinski's Rule of Five, Benzo(a)pyrene-7-sulfate 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 Benzo(a)pyrene-7-sulfate?
The CAS number of Benzo(a)pyrene-7-sulfate is 63785-42-2.
What is the molecular formula of Benzo(a)pyrene-7-sulfate?
The molecular formula of Benzo(a)pyrene-7-sulfate is C20H12O4S.
What is the molecular weight of Benzo(a)pyrene-7-sulfate?
The molecular weight of Benzo(a)pyrene-7-sulfate is 348.05 g/mol.
Where can I buy Benzo(a)pyrene-7-sulfate?
You can request a quote for Benzo(a)pyrene-7-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pyrene-7-sulfate?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-7-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.