Pergularinine
TL;DR: Pergularinine (CAS 6799-27-5) is a chemical compound with molecular formula C23H25NO4 and molecular weight 379.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
Also Known As: Pergularinine, (+-)-Pergularinine, J1.999.647F, Dibenzo(f,h)pyrrolo(1,2-b)isoquinolin-14-ol, 9,11,12,13,13a,14-hexahydro-3,6,7-trimethoxy-, cis-(+-)-, 3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
| Molecular Formula | C23H25NO4 |
|---|---|
| Molecular Weight | 379.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.17834 |
| Heavy Atoms | 28 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 6799-27-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(CN4CCCC4C3O)C5=CC(=C(C=C52)OC)OC |
| InChIKey | LAWAARLALKUFQQ-UHFFFAOYSA-N |
Product Overview
Pergularinine (CAS 6799-27-5), with molecular formula C23H25NO4 and molecular weight 379.18 g/mol. IUPAC: 3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol.
Chemical Property Profile of Pergularinine
Property Insights of Pergularinine
The XLogP value of 3.6 indicates that Pergularinine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, Pergularinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pergularinine 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 Pergularinine?
The CAS number of Pergularinine is 6799-27-5.
What is the molecular formula of Pergularinine?
The molecular formula of Pergularinine is C23H25NO4.
What is the molecular weight of Pergularinine?
The molecular weight of Pergularinine is 379.18 g/mol.
Where can I buy Pergularinine?
You can request a quote for Pergularinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pergularinine?
Yes, KEHONG BIO provides custom synthesis services for Pergularinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.