4,4,5(5H)-Pyrenetriol
TL;DR: 4,4,5(5H)-Pyrenetriol (CAS 64414-73-9) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5H-pyrene-4,4,5-triol
Also Known As: 4,4,5(5H)-Pyrenetriol, 5H-pyrene-4,4,5-triol, Pyrene-4,4,5(5H)-triol, Benzidine,3,3'-dichloro-,sulfate
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 64414-73-9 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(C(C4=CC=CC(=C43)C=C2)(O)O)O |
| InChIKey | NCQWHUQJQFWGCV-UHFFFAOYSA-N |
Product Overview
4,4,5(5H)-Pyrenetriol (CAS 64414-73-9), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 5H-pyrene-4,4,5-triol.
Chemical Property Profile of 4,4,5(5H)-Pyrenetriol
Property Insights of 4,4,5(5H)-Pyrenetriol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,5(5H)-Pyrenetriol. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4,5(5H)-Pyrenetriol. Following Lipinski's Rule of Five, 4,4,5(5H)-Pyrenetriol has 3 hydrogen bond donor(s) and 3 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 4,4,5(5H)-Pyrenetriol?
The CAS number of 4,4,5(5H)-Pyrenetriol is 64414-73-9.
What is the molecular formula of 4,4,5(5H)-Pyrenetriol?
The molecular formula of 4,4,5(5H)-Pyrenetriol is C16H12O3.
What is the molecular weight of 4,4,5(5H)-Pyrenetriol?
The molecular weight of 4,4,5(5H)-Pyrenetriol is 252.08 g/mol.
Where can I buy 4,4,5(5H)-Pyrenetriol?
You can request a quote for 4,4,5(5H)-Pyrenetriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,5(5H)-Pyrenetriol?
Yes, KEHONG BIO provides custom synthesis services for 4,4,5(5H)-Pyrenetriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.