syn-Phenanthrene-1,2-diol-3,4-epoxide
TL;DR: syn-Phenanthrene-1,2-diol-3,4-epoxide (CAS 67694-87-5) 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.
(11R,12S,13R,15S)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene-11,12-diol
Also Known As: syn-Phenanthrene-1,2-diol-3,4-epoxide, anti-Phenanthrene-1,2-diol-3,4-epoxide, 1a-alpha,2-alpha,3-beta,9c-alpha-Tetrahydrophenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,9c-Tetrahydrophenanthro[3,4-b]oxirene-2,3-diol, Phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,9c-tetrahydro-, (1a-alpha,2-alpha,3-beta,9c-alpha)-
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 1.6876 |
| Topological Polar Surface Area | 52.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 607.43884 |
Chemical Identifiers
| CAS Number | 67694-87-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2[C@H]4[C@H](O4)[C@H]([C@@H]3O)O |
Product Overview
syn-Phenanthrene-1,2-diol-3,4-epoxide (CAS 67694-87-5), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: (11R,12S,13R,15S)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene-11,12-diol.
Chemical Property Profile of syn-Phenanthrene-1,2-diol-3,4-epoxide
Property Insights of syn-Phenanthrene-1,2-diol-3,4-epoxide
The XLogP value of 1.6876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for syn-Phenanthrene-1,2-diol-3,4-epoxide. With a topological polar surface area (TPSA) of 52.99 Ų, syn-Phenanthrene-1,2-diol-3,4-epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, syn-Phenanthrene-1,2-diol-3,4-epoxide 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-epoxide?
The CAS number of syn-Phenanthrene-1,2-diol-3,4-epoxide is 67694-87-5.
What is the molecular formula of syn-Phenanthrene-1,2-diol-3,4-epoxide?
The molecular formula of syn-Phenanthrene-1,2-diol-3,4-epoxide is C14H12O3.
What is the molecular weight of syn-Phenanthrene-1,2-diol-3,4-epoxide?
The molecular weight of syn-Phenanthrene-1,2-diol-3,4-epoxide is 228.08 g/mol.
Where can I buy syn-Phenanthrene-1,2-diol-3,4-epoxide?
You can request a quote for syn-Phenanthrene-1,2-diol-3,4-epoxide 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-epoxide?
Yes, KEHONG BIO provides custom synthesis services for syn-Phenanthrene-1,2-diol-3,4-epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.