Isobatatasin I
TL;DR: Isobatatasin I (CAS 39499-84-8) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,7-trimethoxyphenanthren-2-ol
Also Known As: Isobatatasin I, 3,5,7-trimethoxyphenanthren-2-ol, 3,5,7-Trimethoxy-2-phenanthrenol, 2-Phenanthrenol, 3,5,7-trimethoxy-, 2-hydroxy-3,5,7-trimethoxyphenanthrene
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.10486 |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 39499-84-8 |
|---|---|
| SMILES | COC1=CC(=C2C(=C1)C=CC3=CC(=C(C=C32)OC)O)OC |
| InChIKey | BQUYXVYTCAIRQJ-UHFFFAOYSA-N |
Product Overview
Isobatatasin I (CAS 39499-84-8), with molecular formula C17H16O4 and molecular weight 284.10 g/mol. IUPAC: 3,5,7-trimethoxyphenanthren-2-ol.
Chemical Property Profile of Isobatatasin I
Property Insights of Isobatatasin I
The XLogP value of 4.0 indicates that Isobatatasin I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, Isobatatasin I exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobatatasin I has 1 hydrogen bond donor(s) and 4 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 Isobatatasin I?
The CAS number of Isobatatasin I is 39499-84-8.
What is the molecular formula of Isobatatasin I?
The molecular formula of Isobatatasin I is C17H16O4.
What is the molecular weight of Isobatatasin I?
The molecular weight of Isobatatasin I is 284.10 g/mol.
Where can I buy Isobatatasin I?
You can request a quote for Isobatatasin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobatatasin I?
Yes, KEHONG BIO provides custom synthesis services for Isobatatasin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.