1,8-Pyrenediol
TL;DR: 1,8-Pyrenediol (CAS 78078-85-0) is a chemical compound with molecular formula C16H10O2 and molecular weight 234.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrene-1,8-diol
Also Known As: 1,8-Pyrenediol, 1,8-Dihydroxypyrene, Pyrene-1,8-diol, c0856, RefChem:73785
| Molecular Formula | C16H10O2 |
|---|---|
| Molecular Weight | 234.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.06808 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 78078-85-0 |
|---|---|
| SMILES | C1=CC2=C3C(=C(C=C2)O)C=CC4=C(C=CC1=C43)O |
| InChIKey | KLWGBGFNUZJVQM-UHFFFAOYSA-N |
Product Overview
1,8-Pyrenediol (CAS 78078-85-0), with molecular formula C16H10O2 and molecular weight 234.07 g/mol. IUPAC: pyrene-1,8-diol.
Chemical Property Profile of 1,8-Pyrenediol
Property Insights of 1,8-Pyrenediol
The XLogP value of 4.3 indicates that 1,8-Pyrenediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1,8-Pyrenediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Pyrenediol has 2 hydrogen bond donor(s) and 2 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 1,8-Pyrenediol?
The CAS number of 1,8-Pyrenediol is 78078-85-0.
What is the molecular formula of 1,8-Pyrenediol?
The molecular formula of 1,8-Pyrenediol is C16H10O2.
What is the molecular weight of 1,8-Pyrenediol?
The molecular weight of 1,8-Pyrenediol is 234.07 g/mol.
Where can I buy 1,8-Pyrenediol?
You can request a quote for 1,8-Pyrenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Pyrenediol?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Pyrenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.