去氢丹参新酮
TL;DR: 去氢丹参新酮 (CAS 116064-77-8) is a chemical compound with molecular formula C19H20O2 and molecular weight 280.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去氢丹参新酮
8,8-dimethyl-2-propan-2-yl-7H-phenanthrene-3,4-dione
Also Known As: Dehydromiltirone, 1,2-Didehydromiltirone, Dehydrorosmariquinone, Delta-1-dehydromiltirone, 8,8-dimethyl-2-propan-2-yl-7H-phenanthrene-3,4-dione
| Molecular Formula | C19H20O2 |
|---|---|
| Molecular Weight | 280.15 g/mol |
| LogP | 4.1859 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.14633 |
| Heavy Atoms | 21 |
| Complexity | 715.327 |
Chemical Identifiers
| CAS Number | 116064-77-8 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C3=C(C=C2)C(CC=C3)(C)C)C(=O)C1=O |
Product Overview
去氢丹参新酮 (CAS 116064-77-8), with molecular formula C19H20O2 and molecular weight 280.15 g/mol. IUPAC: 8,8-dimethyl-2-propan-2-yl-7H-phenanthrene-3,4-dione.
Chemical Property Profile of 去氢丹参新酮
Property Insights of 去氢丹参新酮
The XLogP value of 4.1859 indicates that 去氢丹参新酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 去氢丹参新酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 去氢丹参新酮 has 0 hydrogen bond donor(s) and 2 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 去氢丹参新酮?
The CAS number of 去氢丹参新酮 is 116064-77-8.
What is the molecular formula of 去氢丹参新酮?
The molecular formula of 去氢丹参新酮 is C19H20O2.
What is the molecular weight of 去氢丹参新酮?
The molecular weight of 去氢丹参新酮 is 280.15 g/mol.
Where can I buy 去氢丹参新酮?
You can request a quote for 去氢丹参新酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去氢丹参新酮?
Yes, KEHONG BIO provides custom synthesis services for 去氢丹参新酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.