Isopilosine
TL;DR: Isopilosine (CAS 491-88-3) 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-[(R)-hydroxy(phenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
Also Known As: Isopilosine, Carpiline, Imidazole alkaloid, CARPIDIN, CARPIDINE
| 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 | 491-88-3 |
|---|---|
| SMILES | CN1C=NC=C1C[C@H]2COC(=O)[C@@H]2[C@H](C3=CC=CC=C3)O |
| InChIKey | DZOVBAVEJYPSLL-QEJZJMRPSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopilosine (CAS 491-88-3), with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol. IUPAC: (3S,4R)-3-[(R)-hydroxy(phenyl)methyl]-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one.
Chemical Property Profile of Isopilosine
Property Insights of Isopilosine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopilosine. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopilosine. Following Lipinski's Rule of Five, Isopilosine 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 Isopilosine?
The CAS number of Isopilosine is 491-88-3.
What is the molecular formula of Isopilosine?
The molecular formula of Isopilosine is C16H18N2O3.
What is the molecular weight of Isopilosine?
The molecular weight of Isopilosine is 286.13 g/mol.
Where can I buy Isopilosine?
You can request a quote for Isopilosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopilosine?
Yes, KEHONG BIO provides custom synthesis services for Isopilosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.