Danshenxinkun C
TL;DR: Danshenxinkun C (CAS 65907-77-9) 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.
1-hydroxy-2,8-dimethylphenanthrene-3,4-dione
Also Known As: Danshenxinkun C, Danshexinkun C, Neotanshinone C, 3-Hydroxy-2,8-dimethyl-1,4-phenanthrenedione, 1-hydroxy-2,8-dimethylphenanthrene-3,4-dione
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.20262 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 781.9258 |
Chemical Identifiers
| CAS Number | 65907-77-9 |
|---|---|
| SMILES | CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C |
Product Overview
Danshenxinkun C (CAS 65907-77-9), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 1-hydroxy-2,8-dimethylphenanthrene-3,4-dione.
Chemical Property Profile of Danshenxinkun C
Property Insights of Danshenxinkun C
The XLogP value of 3.20262 indicates that Danshenxinkun C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, Danshenxinkun C exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Danshenxinkun C 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 Danshenxinkun C?
The CAS number of Danshenxinkun C is 65907-77-9.
What is the molecular formula of Danshenxinkun C?
The molecular formula of Danshenxinkun C is C16H12O3.
What is the molecular weight of Danshenxinkun C?
The molecular weight of Danshenxinkun C is 252.08 g/mol.
Where can I buy Danshenxinkun C?
You can request a quote for Danshenxinkun C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Danshenxinkun C?
Yes, KEHONG BIO provides custom synthesis services for Danshenxinkun C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.