4,5-Phenanthrenediol
TL;DR: 4,5-Phenanthrenediol (CAS 10127-55-6) is a chemical compound with molecular formula C14H10O2 and molecular weight 210.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenanthrene-4,5-diol
Also Known As: 4,5-Phenanthrenediol, phenanthrene-4,5-diol, 4,5-dihydroxyphenanthrene, Oc1cccc2ccc3cccc(O)c3c12, J2.302.453E
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H10O2 |
| Molecular Weight | 210.06808 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.06808 Da |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
| SMILES | C1=CC2=C(C(=C1)O)C3=C(C=CC=C3O)C=C2 |
| InChIKey | TWTDMNQJLRKNLJ-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-Phenanthrenediol
Property Insights of 4,5-Phenanthrenediol
The XLogP value of 3.7 indicates that 4,5-Phenanthrenediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 4,5-Phenanthrenediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Phenanthrenediol 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
What is the CAS number of 4,5-Phenanthrenediol?
The CAS number of 4,5-Phenanthrenediol is 10127-55-6.
What is the molecular formula of 4,5-Phenanthrenediol?
The molecular formula of 4,5-Phenanthrenediol is C14H10O2.
What is the molecular weight of 4,5-Phenanthrenediol?
The molecular weight of 4,5-Phenanthrenediol is 210.06808 g/mol.
Where can I buy 4,5-Phenanthrenediol?
You can request a quote for 4,5-Phenanthrenediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-Phenanthrenediol?
Yes, CoreyChem provides custom synthesis services for 4,5-Phenanthrenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.