Pumafentrine
TL;DR: Pumafentrine (CAS 207993-12-2) is a chemical compound with molecular formula C29H39N3O3 and molecular weight 477.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide
Also Known As: Pumafentrine, Pumafentrin, pumafentrina, pumafentrinum, Pumafentrine [INN]
| Molecular Formula | C29H39N3O3 |
|---|---|
| Molecular Weight | 477.30 g/mol |
| LogP | 4.9916 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.29913 |
| Heavy Atoms | 35 |
| Complexity | 1083.096 |
Chemical Identifiers
| CAS Number | 207993-12-2 |
|---|---|
| SMILES | CCOC1=C(C=C2C(=C1)[C@H]3CN(CC[C@H]3N=C2C4=CC=C(C=C4)C(=O)N(C(C)C)C(C)C)C)OC |
Product Overview
Pumafentrine (CAS 207993-12-2), with molecular formula C29H39N3O3 and molecular weight 477.30 g/mol. IUPAC: 4-[(4aR,10bS)-9-ethoxy-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]-N,N-di(propan-2-yl)benzamide.
Chemical Property Profile of Pumafentrine
Property Insights of Pumafentrine
The XLogP value of 4.9916 indicates that Pumafentrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, Pumafentrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pumafentrine has 0 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 Pumafentrine?
The CAS number of Pumafentrine is 207993-12-2.
What is the molecular formula of Pumafentrine?
The molecular formula of Pumafentrine is C29H39N3O3.
What is the molecular weight of Pumafentrine?
The molecular weight of Pumafentrine is 477.30 g/mol.
Where can I buy Pumafentrine?
You can request a quote for Pumafentrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pumafentrine?
Yes, KEHONG BIO provides custom synthesis services for Pumafentrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.