Paynantheine
TL;DR: Paynantheine (CAS 1346-36-7) is a chemical compound with molecular formula C23H28N2O4 and molecular weight 396.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-[(2S,3R,12bS)-3-ethenyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Also Known As: Paynantheine, (+)-Paynantheine, Paynanthenine, Paynantheine(sh), PATULIN(RG)
| Molecular Formula | C23H28N2O4 |
|---|---|
| Molecular Weight | 396.20 g/mol |
| LogP | 3.6011 |
| Topological Polar Surface Area | 63.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.2049 |
| Heavy Atoms | 29 |
| Complexity | 961.1837 |
Chemical Identifiers
| CAS Number | 1346-36-7 |
|---|---|
| SMILES | CO/C=C(\[C@H]1C[C@H]2C3=C(CCN2C[C@@H]1C=C)C4=C(N3)C=CC=C4OC)/C(=O)OC |
Product Overview
Paynantheine (CAS 1346-36-7), with molecular formula C23H28N2O4 and molecular weight 396.20 g/mol. IUPAC: methyl (E)-2-[(2S,3R,12bS)-3-ethenyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate.
Chemical Property Profile of Paynantheine
Property Insights of Paynantheine
The XLogP value of 3.6011 indicates that Paynantheine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Paynantheine. Following Lipinski's Rule of Five, Paynantheine has 1 hydrogen bond donor(s) and 5 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 Paynantheine?
The CAS number of Paynantheine is 1346-36-7.
What is the molecular formula of Paynantheine?
The molecular formula of Paynantheine is C23H28N2O4.
What is the molecular weight of Paynantheine?
The molecular weight of Paynantheine is 396.20 g/mol.
Where can I buy Paynantheine?
You can request a quote for Paynantheine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paynantheine?
Yes, KEHONG BIO provides custom synthesis services for Paynantheine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.