Tetraphthen
TL;DR: Tetraphthen (CAS 31962-94-4) is a chemical compound with molecular formula C42H66O14 and molecular weight 794.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[12,14-dihydroxy-3-[4-hydroxy-5-[4-hydroxy-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Tetraphthen, A-METHYLDIGOXIN, METHYLDIGOXIN, A-, EINECS 250-874-4, 3a(2)a(2)a(2)-O-Methyl-digoxin
| Molecular Formula | C42H66O14 |
|---|---|
| Molecular Weight | 794.45 g/mol |
| LogP | 2.8722 |
| Topological Polar Surface Area | 192.06 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 794.44525 |
| Heavy Atoms | 56 |
| Complexity | 1437.7507 |
Chemical Identifiers
| CAS Number | 31962-94-4 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)OC)O |
Product Overview
Tetraphthen (CAS 31962-94-4), with molecular formula C42H66O14 and molecular weight 794.45 g/mol. IUPAC: 3-[12,14-dihydroxy-3-[4-hydroxy-5-[4-hydroxy-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Tetraphthen
Property Insights of Tetraphthen
The XLogP value of 2.8722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetraphthen. The TPSA of 192.06 Ų indicates high polarity, suggesting Tetraphthen may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetraphthen has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetraphthen?
The CAS number of Tetraphthen is 31962-94-4.
What is the molecular formula of Tetraphthen?
The molecular formula of Tetraphthen is C42H66O14.
What is the molecular weight of Tetraphthen?
The molecular weight of Tetraphthen is 794.45 g/mol.
Where can I buy Tetraphthen?
You can request a quote for Tetraphthen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraphthen?
Yes, KEHONG BIO provides custom synthesis services for Tetraphthen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.