Triptonodiol
TL;DR: Triptonodiol (CAS 117456-87-8) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
Also Known As: Triptonodiol, Triptonoterpenol, 5-hydroxy-1-(hydroxymethyl)-7-isopropyl-8-methoxy-1,4a-dimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one, 5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 3.7058 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 708.3379 |
Chemical Identifiers
| CAS Number | 117456-87-8 |
|---|---|
| SMILES | CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC(=O)C3(C)CO)C)O |
Product Overview
Triptonodiol (CAS 117456-87-8), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: 5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one.
Chemical Property Profile of Triptonodiol
Property Insights of Triptonodiol
The XLogP value of 3.7058 indicates that Triptonodiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Triptonodiol. Following Lipinski's Rule of Five, Triptonodiol has 2 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 Triptonodiol?
The CAS number of Triptonodiol is 117456-87-8.
What is the molecular formula of Triptonodiol?
The molecular formula of Triptonodiol is C21H30O4.
What is the molecular weight of Triptonodiol?
The molecular weight of Triptonodiol is 346.21 g/mol.
Where can I buy Triptonodiol?
You can request a quote for Triptonodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triptonodiol?
Yes, KEHONG BIO provides custom synthesis services for Triptonodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.