Pumosetrag
TL;DR: Pumosetrag (CAS 1055328-70-5) is a chemical compound with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
Also Known As: Pumosetrag, Pumosetrag [INN], PUMOSETRAGUM, DDP 733, DDP733
| Molecular Formula | C15H17N3O2S |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.10416 |
| Heavy Atoms | 21 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 1055328-70-5 |
|---|---|
| SMILES | C1CN2CCC1[C@H](C2)NC(=O)C3=CNC4=C(C3=O)SC=C4 |
| InChIKey | AFUWQWYPPZFWCO-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pumosetrag (CAS 1055328-70-5), with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol. IUPAC: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.
Chemical Property Profile of Pumosetrag
Property Insights of Pumosetrag
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pumosetrag. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pumosetrag. Following Lipinski's Rule of Five, Pumosetrag has 2 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 Pumosetrag?
The CAS number of Pumosetrag is 1055328-70-5.
What is the molecular formula of Pumosetrag?
The molecular formula of Pumosetrag is C15H17N3O2S.
What is the molecular weight of Pumosetrag?
The molecular weight of Pumosetrag is 303.10 g/mol.
Where can I buy Pumosetrag?
You can request a quote for Pumosetrag directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pumosetrag?
Yes, KEHONG BIO provides custom synthesis services for Pumosetrag and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.