Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate)
TL;DR: Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate) (CAS 87976-77-0) is a chemical compound with molecular formula C19H14O4S and molecular weight 338.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[a]anthracen-7-ylmethyl hydrogen sulfate
Also Known As: 7-Sulfooxymethylbenz(a)anthracene, 7-SBA cpd, 7-Hydroxymethylbenz(a)anthracene sulfate, tetraphen-7-ylmethyl hydrogen sulfate, (Tetraphen-7-yl)methyl hydrogen sulfate
| Molecular Formula | C19H14O4S |
|---|---|
| Molecular Weight | 338.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.06128 |
| Heavy Atoms | 24 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 87976-77-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)COS(=O)(=O)O |
| InChIKey | OQBSNVMTMMNGCH-UHFFFAOYSA-N |
Product Overview
Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate) (CAS 87976-77-0), with molecular formula C19H14O4S and molecular weight 338.06 g/mol. IUPAC: benzo[a]anthracen-7-ylmethyl hydrogen sulfate.
Chemical Property Profile of Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate)
Property Insights of Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate)
The XLogP value of 4.4 indicates that Benz(a)anthracene-7-methanol, 7-(hydrogen 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 Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate). Following Lipinski's Rule of Five, Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate) 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 Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate)?
The CAS number of Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate) is 87976-77-0.
What is the molecular formula of Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate)?
The molecular formula of Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate) is C19H14O4S.
What is the molecular weight of Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate)?
The molecular weight of Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate) is 338.06 g/mol.
Where can I buy Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate)?
You can request a quote for Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate)?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-7-methanol, 7-(hydrogen sulfate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.