丹参酮IIA
TL;DR: 丹参酮IIA (CAS 311766-58-2) 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.
丹参酮IIA
1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
Also Known As: Tanshinone IIA, Tanshinone II, Dan Shen Ketone, Tanshinone B, Tanshinon II
| Molecular Formula | C19H18O3 |
|---|---|
| Molecular Weight | 294.13 g/mol |
| LogP | 4.3 |
| 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 |
| Solubility | 5 mg/mL methanol |
Chemical Identifiers
| CAS Number | 311766-58-2 |
|---|---|
| SMILES | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
| InChIKey | HYXITZLLTYIPOF-UHFFFAOYSA-N |
Product Overview
丹参酮IIA (CAS 311766-58-2), with molecular formula C19H18O3 and molecular weight 294.13 g/mol. IUPAC: 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione.
Chemical Property Profile of 丹参酮IIA
Property Insights of 丹参酮IIA
The XLogP value of 4.3 indicates that 丹参酮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, 丹参酮IIA exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丹参酮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 丹参酮IIA?
The CAS number of 丹参酮IIA is 311766-58-2.
What is the molecular formula of 丹参酮IIA?
The molecular formula of 丹参酮IIA is C19H18O3.
What is the molecular weight of 丹参酮IIA?
The molecular weight of 丹参酮IIA is 294.13 g/mol.
Where can I buy 丹参酮IIA?
You can request a quote for 丹参酮IIA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丹参酮IIA?
Yes, KEHONG BIO provides custom synthesis services for 丹参酮IIA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.