syn-Phenanthrene-1,2-diol-3,4-oxide
TL;DR: syn-Phenanthrene-1,2-diol-3,4-oxide (CAS 72074-69-2) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1aS,8R,9R,9aS)-1a,8,9,9a-tetrahydrophenanthro[1,2-b]oxirene-8,9-diol
Also Known As: syn-Phenanthrene-1,2-diol-3,4-oxide, Phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,9c-tetrahydro-, (+-), 1a,8,9,9a-tetrahydrophenanthro[1,2-b]oxirene-8,9-diol, (+-)-1-beta,2-alpha-Dihydroxy-3-alpha,4-alpha-epoxy-1,2,3,4-tetrahydrophenanthrene, (+-)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydro-1-beta,2-alpha-phenanthrenediol
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 72074-69-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2[C@H]([C@H]([C@H]4[C@H]3O4)O)O |
| InChIKey | OJMOINVUODHBSF-MQYQWHSLSA-N |
Product Overview
syn-Phenanthrene-1,2-diol-3,4-oxide (CAS 72074-69-2), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: (1aS,8R,9R,9aS)-1a,8,9,9a-tetrahydrophenanthro[1,2-b]oxirene-8,9-diol.
Chemical Property Profile of syn-Phenanthrene-1,2-diol-3,4-oxide
Property Insights of syn-Phenanthrene-1,2-diol-3,4-oxide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for syn-Phenanthrene-1,2-diol-3,4-oxide. With a topological polar surface area (TPSA) of 53.0 Ų, syn-Phenanthrene-1,2-diol-3,4-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, syn-Phenanthrene-1,2-diol-3,4-oxide has 2 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 syn-Phenanthrene-1,2-diol-3,4-oxide?
The CAS number of syn-Phenanthrene-1,2-diol-3,4-oxide is 72074-69-2.
What is the molecular formula of syn-Phenanthrene-1,2-diol-3,4-oxide?
The molecular formula of syn-Phenanthrene-1,2-diol-3,4-oxide is C14H12O3.
What is the molecular weight of syn-Phenanthrene-1,2-diol-3,4-oxide?
The molecular weight of syn-Phenanthrene-1,2-diol-3,4-oxide is 228.08 g/mol.
Where can I buy syn-Phenanthrene-1,2-diol-3,4-oxide?
You can request a quote for syn-Phenanthrene-1,2-diol-3,4-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for syn-Phenanthrene-1,2-diol-3,4-oxide?
Yes, KEHONG BIO provides custom synthesis services for syn-Phenanthrene-1,2-diol-3,4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.