丹参新酮
TL;DR: 丹参新酮 (CAS 32859-69-1) is a chemical compound with molecular formula C19H22O2 and molecular weight 282.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丹参新酮
8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione
Also Known As: Miltirone, Miltiron, Rosmariquinone, Miltrione, 5,6,7,8-Tetrahydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione
| Molecular Formula | C19H22O2 |
|---|---|
| Molecular Weight | 282.16 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.162 |
| Heavy Atoms | 21 |
| Complexity | 498.0 |
| Melting Point | 100 °C |
| Boiling Point | 421.00 to 422.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 32859-69-1 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O |
| InChIKey | FEFAIBOZOKSLJR-UHFFFAOYSA-N |
Product Overview
丹参新酮 (CAS 32859-69-1), with molecular formula C19H22O2 and molecular weight 282.16 g/mol. IUPAC: 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione.
Chemical Property Profile of 丹参新酮
Property Insights of 丹参新酮
The XLogP value of 4.9 indicates that 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 34.1 Ų, 丹参新酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 丹参新酮?
The CAS number of 丹参新酮 is 32859-69-1.
What is the molecular formula of 丹参新酮?
The molecular formula of 丹参新酮 is C19H22O2.
What is the molecular weight of 丹参新酮?
The molecular weight of 丹参新酮 is 282.16 g/mol.
Where can I buy 丹参新酮?
You can request a quote for 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 丹参新酮?
Yes, KEHONG BIO provides custom synthesis services for 丹参新酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.