Tinosporide
TL;DR: Tinosporide (CAS 20691-89-8) is a chemical compound with molecular formula C20H22O7 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.02,11.03,8.013,15]heptadecane-7,17-dione
Also Known As: Tinosporide, ACon1_001869, BRD-A84056067-001-01-6, 2-(furan-3-yl)-7-hydroxy-6a,9b-dimethyldodecahydro-4h-9,7-(epoxymethano)[1]benzoxireno[3,4-f]isochromene-4,11-dione, 5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.02,11.03,8.013,15]heptadecane-7,17-dione
| Molecular Formula | C20H22O7 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.13657 |
| Heavy Atoms | 27 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 20691-89-8 |
|---|---|
| SMILES | CC12CCC3C(=O)OC(CC3(C1C4C5C(C2(C(=O)O4)O)O5)C)C6=COC=C6 |
| InChIKey | TXOMRNMZLZXJQP-UHFFFAOYSA-N |
Product Overview
Tinosporide (CAS 20691-89-8), with molecular formula C20H22O7 and molecular weight 374.14 g/mol. IUPAC: 5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.02,11.03,8.013,15]heptadecane-7,17-dione.
Chemical Property Profile of Tinosporide
Property Insights of Tinosporide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tinosporide. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Tinosporide. Following Lipinski's Rule of Five, Tinosporide has 1 hydrogen bond donor(s) and 7 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 Tinosporide?
The CAS number of Tinosporide is 20691-89-8.
What is the molecular formula of Tinosporide?
The molecular formula of Tinosporide is C20H22O7.
What is the molecular weight of Tinosporide?
The molecular weight of Tinosporide is 374.14 g/mol.
Where can I buy Tinosporide?
You can request a quote for Tinosporide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tinosporide?
Yes, KEHONG BIO provides custom synthesis services for Tinosporide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.