Terpentecin
TL;DR: Terpentecin (CAS 100440-25-3) is a chemical compound with molecular formula C20H28O6 and molecular weight 364.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2S)-2-[(1R)-2-[(1S,2S,3R,4aS,8aS)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-1-hydroxyethyl]oxiran-2-yl]-2-oxoacetaldehyde
Also Known As: Terpentecin, Antibiotic MF 730N6, 42100-EP2311808A1, 42100-EP2311829A1, [(2S)-2-{(1R)-1-hydroxy-2-[(1S,2S,3R,4aS,8aS)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]ethyl}oxiran-2-yl](oxo)acetaldehyde
| Molecular Formula | C20H28O6 |
|---|---|
| Molecular Weight | 364.19 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.1886 |
| Heavy Atoms | 26 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 100440-25-3 |
|---|---|
| SMILES | C[C@@H]1[C@H](C(=O)[C@]2([C@H]([C@]1(C)C[C@H]([C@@]3(CO3)C(=O)C=O)O)CCC=C2C)C)O |
| InChIKey | ISTOHHFNKVUOKP-BRUMOIPRSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Terpentecin (CAS 100440-25-3), with molecular formula C20H28O6 and molecular weight 364.19 g/mol. IUPAC: 2-[(2S)-2-[(1R)-2-[(1S,2S,3R,4aS,8aS)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-1-hydroxyethyl]oxiran-2-yl]-2-oxoacetaldehyde.
Chemical Property Profile of Terpentecin
Property Insights of Terpentecin
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Terpentecin. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Terpentecin. Following Lipinski's Rule of Five, Terpentecin has 2 hydrogen bond donor(s) and 6 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 Terpentecin?
The CAS number of Terpentecin is 100440-25-3.
What is the molecular formula of Terpentecin?
The molecular formula of Terpentecin is C20H28O6.
What is the molecular weight of Terpentecin?
The molecular weight of Terpentecin is 364.19 g/mol.
Where can I buy Terpentecin?
You can request a quote for Terpentecin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Terpentecin?
Yes, KEHONG BIO provides custom synthesis services for Terpentecin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.