Methuyl tanshinonate
TL;DR: Methuyl tanshinonate (CAS 135355-72-5) is a chemical compound with molecular formula C20H18O5 and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carboxylate
Also Known As: Methyltanshinonate, Methyl tanshinonate, Methuyl tanshinonate, (-)-Methyl tanshinonate, methyl 1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carboxylate
| Molecular Formula | C20H18O5 |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.11542 |
| Heavy Atoms | 25 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 135355-72-5 |
|---|---|
| SMILES | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC |
| InChIKey | YFDKIHAZVQFLRC-UHFFFAOYSA-N |
Product Overview
Methuyl tanshinonate (CAS 135355-72-5), with molecular formula C20H18O5 and molecular weight 338.12 g/mol. IUPAC: methyl 1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carboxylate.
Chemical Property Profile of Methuyl tanshinonate
Property Insights of Methuyl tanshinonate
The XLogP value of 3.2 indicates that Methuyl tanshinonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methuyl tanshinonate. Following Lipinski's Rule of Five, Methuyl tanshinonate has 0 hydrogen bond donor(s) and 5 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 Methuyl tanshinonate?
The CAS number of Methuyl tanshinonate is 135355-72-5.
What is the molecular formula of Methuyl tanshinonate?
The molecular formula of Methuyl tanshinonate is C20H18O5.
What is the molecular weight of Methuyl tanshinonate?
The molecular weight of Methuyl tanshinonate is 338.12 g/mol.
Where can I buy Methuyl tanshinonate?
You can request a quote for Methuyl tanshinonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methuyl tanshinonate?
Yes, KEHONG BIO provides custom synthesis services for Methuyl tanshinonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.