Epiisopiloturine
TL;DR: Epiisopiloturine (CAS 69460-80-6) is a chemical compound with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-3-[(S)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one
Also Known As: EPIISOPILOTURINE, J3.239.582A, 2(3H)-Furanone, dihydro-3-((S)-hydroxyphenylmethyl)-4-((1-methyl-1H-imidazol-4-yl)methyl)-, (3S,4R)-, (3S,4R)-3-[(S)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one, (3S,4R)-3-[(S)-hydroxy(phenyl)methyl]-4-[(1-methyl-1H-imidazol-4-yl)methyl]oxolan-2-one
| Molecular Formula | C16H18N2O3 |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.13174 |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 69460-80-6 |
|---|---|
| SMILES | CN1C=C(N=C1)C[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC=CC=C3)O |
| InChIKey | OLLOSKHCXIYWIO-AEGPPILISA-N |
Product Overview
Epiisopiloturine (CAS 69460-80-6), with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol. IUPAC: (3S,4R)-3-[(S)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one.
Chemical Property Profile of Epiisopiloturine
Property Insights of Epiisopiloturine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epiisopiloturine. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Epiisopiloturine. Following Lipinski's Rule of Five, Epiisopiloturine has 1 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 Epiisopiloturine?
The CAS number of Epiisopiloturine is 69460-80-6.
What is the molecular formula of Epiisopiloturine?
The molecular formula of Epiisopiloturine is C16H18N2O3.
What is the molecular weight of Epiisopiloturine?
The molecular weight of Epiisopiloturine is 286.13 g/mol.
Where can I buy Epiisopiloturine?
You can request a quote for Epiisopiloturine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epiisopiloturine?
Yes, KEHONG BIO provides custom synthesis services for Epiisopiloturine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.