Isotanshinone IIA
TL;DR: Isotanshinone IIA (CAS 20958-15-0) is a chemical compound with molecular formula C19H18O3 and molecular weight 294.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,8-trimethyl-2,3-dihydro-1H-naphtho[2,1-f][1]benzofuran-7,11-dione
Also Known As: Isotanshinone IIA, Isotanshinone II, iso-Tanshinone II, 4,4,8-trimethyl-2,3-dihydro-1H-naphtho[2,1-f][1]benzofuran-7,11-dione, 4,4,8-trimethyl-1H,2H,3H-phenanthro[3,2-b]furan-7,11-dione
| Molecular Formula | C19H18O3 |
|---|---|
| Molecular Weight | 294.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 294.12558 |
| Heavy Atoms | 22 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 20958-15-0 |
|---|---|
| SMILES | CC1=COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C |
| InChIKey | QHGPIJMPUOVBOL-UHFFFAOYSA-N |
Product Overview
Isotanshinone IIA (CAS 20958-15-0), with molecular formula C19H18O3 and molecular weight 294.13 g/mol. IUPAC: 4,4,8-trimethyl-2,3-dihydro-1H-naphtho[2,1-f][1]benzofuran-7,11-dione.
Chemical Property Profile of Isotanshinone IIA
Property Insights of Isotanshinone IIA
The XLogP value of 4.9 indicates that Isotanshinone IIA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.3 Ų, Isotanshinone IIA exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isotanshinone IIA 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 Isotanshinone IIA?
The CAS number of Isotanshinone IIA is 20958-15-0.
What is the molecular formula of Isotanshinone IIA?
The molecular formula of Isotanshinone IIA is C19H18O3.
What is the molecular weight of Isotanshinone IIA?
The molecular weight of Isotanshinone IIA is 294.13 g/mol.
Where can I buy Isotanshinone IIA?
You can request a quote for Isotanshinone IIA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotanshinone IIA?
Yes, KEHONG BIO provides custom synthesis services for Isotanshinone IIA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.