9,10-Phenanthrenediol, monobenzoate
TL;DR: 9,10-Phenanthrenediol, monobenzoate (CAS 39559-48-3) is a chemical compound with molecular formula C21H14O3 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-hydroxyphenanthren-9-yl) benzoate
Also Known As: 9,10-Phenanthrenediol, monobenzoate, 10-Benzoyloxy-[9]phenanthrol, (10-hydroxyphenanthren-9-yl) benzoate, (10-hydroxy-9-phenanthryl) benzoate, 9,10-PHENANTHRENEDIOL, 9-BENZOATE
| Molecular Formula | C21H14O3 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0943 |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 39559-48-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C4=CC=CC=C42)O |
| InChIKey | FXVNMUNYTZMPQM-UHFFFAOYSA-N |
Product Overview
9,10-Phenanthrenediol, monobenzoate (CAS 39559-48-3), with molecular formula C21H14O3 and molecular weight 314.09 g/mol. IUPAC: (10-hydroxyphenanthren-9-yl) benzoate.
Chemical Property Profile of 9,10-Phenanthrenediol, monobenzoate
Property Insights of 9,10-Phenanthrenediol, monobenzoate
The XLogP value of 5.5 indicates that 9,10-Phenanthrenediol, monobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 9,10-Phenanthrenediol, monobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Phenanthrenediol, monobenzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,10-Phenanthrenediol, monobenzoate?
The CAS number of 9,10-Phenanthrenediol, monobenzoate is 39559-48-3.
What is the molecular formula of 9,10-Phenanthrenediol, monobenzoate?
The molecular formula of 9,10-Phenanthrenediol, monobenzoate is C21H14O3.
What is the molecular weight of 9,10-Phenanthrenediol, monobenzoate?
The molecular weight of 9,10-Phenanthrenediol, monobenzoate is 314.09 g/mol.
Where can I buy 9,10-Phenanthrenediol, monobenzoate?
You can request a quote for 9,10-Phenanthrenediol, monobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Phenanthrenediol, monobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Phenanthrenediol, monobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.