Dehydrotanshinone II A
TL;DR: Dehydrotanshinone II A (CAS 119963-50-7) is a chemical compound with molecular formula C19H16O3 and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6,6-trimethyl-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
Also Known As: Dehydrotanshinone II A, 1,2-Didehydrotanshinone IIA, delta1-Dehydrotanshinone II(A), delta 1-dehydrotanshinone II(A), 1,6,6-trimethyl-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
| Molecular Formula | C19H16O3 |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.10995 |
| Heavy Atoms | 22 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 119963-50-7 |
|---|---|
| SMILES | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CCC4(C)C |
| InChIKey | PURTYNPVRFEUEN-UHFFFAOYSA-N |
Product Overview
Dehydrotanshinone II A (CAS 119963-50-7), with molecular formula C19H16O3 and molecular weight 292.11 g/mol. IUPAC: 1,6,6-trimethyl-7H-naphtho[1,2-g][1]benzofuran-10,11-dione.
Chemical Property Profile of Dehydrotanshinone II A
Property Insights of Dehydrotanshinone II A
The XLogP value of 4.0 indicates that Dehydrotanshinone II A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.3 Ų, Dehydrotanshinone II A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dehydrotanshinone II A has 0 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 Dehydrotanshinone II A?
The CAS number of Dehydrotanshinone II A is 119963-50-7.
What is the molecular formula of Dehydrotanshinone II A?
The molecular formula of Dehydrotanshinone II A is C19H16O3.
What is the molecular weight of Dehydrotanshinone II A?
The molecular weight of Dehydrotanshinone II A is 292.11 g/mol.
Where can I buy Dehydrotanshinone II A?
You can request a quote for Dehydrotanshinone II A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrotanshinone II A?
Yes, KEHONG BIO provides custom synthesis services for Dehydrotanshinone II A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.