丹参酮IIB
TL;DR: 丹参酮IIB (CAS 17397-93-2) is a chemical compound with molecular formula C19H18O4 and molecular weight 310.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丹参酮IIB
6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
Also Known As: Tanshinone IIb, Tanshinone II-b, Tanshinon IIB, tanshinone II B, 7,10-Dodecadienamide, 2,3-epoxy-4-oxo-, (2R,3S)-
| Molecular Formula | C19H18O4 |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.1205 |
| Heavy Atoms | 23 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 17397-93-2 |
|---|---|
| SMILES | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CO |
| InChIKey | XDUXBBDRILEIEZ-UHFFFAOYSA-N |
Product Overview
丹参酮IIB (CAS 17397-93-2), with molecular formula C19H18O4 and molecular weight 310.12 g/mol. IUPAC: 6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione.
Chemical Property Profile of 丹参酮IIB
Property Insights of 丹参酮IIB
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丹参酮IIB. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 丹参酮IIB. Following Lipinski's Rule of Five, 丹参酮IIB has 1 hydrogen bond donor(s) and 4 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IIB?
The CAS number of 丹参酮IIB is 17397-93-2.
What is the molecular formula of 丹参酮IIB?
The molecular formula of 丹参酮IIB is C19H18O4.
What is the molecular weight of 丹参酮IIB?
The molecular weight of 丹参酮IIB is 310.12 g/mol.
Where can I buy 丹参酮IIB?
You can request a quote for 丹参酮IIB 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IIB?
Yes, KEHONG BIO provides custom synthesis services for 丹参酮IIB and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.