9,10-Phenanthrenediol monoacetate
TL;DR: 9,10-Phenanthrenediol monoacetate (CAS 39559-42-7) 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.
(10-hydroxyphenanthren-9-yl) acetate
Also Known As: 9, monoacetate, 9,10-Phenanthrenediol, monoacetate, 9-Acetoxyphenanthren-10-ol, 9,10-Phenanthrenediol monoacetate, 10-hydroxy-9-phenanthryl acetate
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 39559-42-7 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=CC=CC=C2C3=CC=CC=C31)O |
| InChIKey | MKAILPKBUQHGKH-UHFFFAOYSA-N |
Product Overview
9,10-Phenanthrenediol monoacetate (CAS 39559-42-7), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: (10-hydroxyphenanthren-9-yl) acetate.
Chemical Property Profile of 9,10-Phenanthrenediol monoacetate
Property Insights of 9,10-Phenanthrenediol monoacetate
The XLogP value of 3.8 indicates that 9,10-Phenanthrenediol monoacetate 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 monoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Phenanthrenediol monoacetate has 1 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 9,10-Phenanthrenediol monoacetate?
The CAS number of 9,10-Phenanthrenediol monoacetate is 39559-42-7.
What is the molecular formula of 9,10-Phenanthrenediol monoacetate?
The molecular formula of 9,10-Phenanthrenediol monoacetate is C16H12O3.
What is the molecular weight of 9,10-Phenanthrenediol monoacetate?
The molecular weight of 9,10-Phenanthrenediol monoacetate is 252.08 g/mol.
Where can I buy 9,10-Phenanthrenediol monoacetate?
You can request a quote for 9,10-Phenanthrenediol monoacetate 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 monoacetate?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Phenanthrenediol monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.