四氢丹参酮I
TL;DR: 四氢丹参酮I (CAS 126979-84-8) is a chemical compound with molecular formula C18H16O3 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氢丹参酮I
1,6-dimethyl-1,2,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione
Also Known As: Trijuganone B, 1,2,15,16-Tetrahydrotanshiquinone, Tetrahydro tanshinone I, 1,2,5,6-Tetrahydrotanshinone centn, 1,6-dimethyl-1,2,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione
| Molecular Formula | C18H16O3 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.10995 |
| Heavy Atoms | 21 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 126979-84-8 |
|---|---|
| SMILES | CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C |
| InChIKey | AZIUYJPOBCMPON-UHFFFAOYSA-N |
Product Overview
四氢丹参酮I (CAS 126979-84-8), with molecular formula C18H16O3 and molecular weight 280.11 g/mol. IUPAC: 1,6-dimethyl-1,2,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione.
Chemical Property Profile of 四氢丹参酮I
Property Insights of 四氢丹参酮I
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 四氢丹参酮I. With a topological polar surface area (TPSA) of 43.4 Ų, 四氢丹参酮I exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 四氢丹参酮I 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 四氢丹参酮I?
The CAS number of 四氢丹参酮I is 126979-84-8.
What is the molecular formula of 四氢丹参酮I?
The molecular formula of 四氢丹参酮I is C18H16O3.
What is the molecular weight of 四氢丹参酮I?
The molecular weight of 四氢丹参酮I is 280.11 g/mol.
Where can I buy 四氢丹参酮I?
You can request a quote for 四氢丹参酮I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四氢丹参酮I?
Yes, KEHONG BIO provides custom synthesis services for 四氢丹参酮I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.