PP1 inhibitor 1
TL;DR: PP1 inhibitor 1 (CAS 752216-12-9) is a chemical compound with molecular formula C26H25N3O6 and molecular weight 475.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Also Known As: PP1 inhibitor 1, EBOV-IN-C31, 1-(Carbamoylamino)-1-oxopropan-2-yl 3-[(3,4-dimethoxyphenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylate, [1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate, 1-(carbamoylamino)-1-oxopropan-2-yl 3-[(3,4-dimethoxyphenyl)methylidene]-1H,2H-cyclopenta[b]quinoline-9-carboxylate
| Molecular Formula | C26H25N3O6 |
|---|---|
| Molecular Weight | 475.17 g/mol |
| LogP | 3.479 |
| Topological Polar Surface Area | 129.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.17435 |
| Heavy Atoms | 35 |
| Complexity | 1364.6945 |
Chemical Identifiers
| CAS Number | 752216-12-9 |
|---|---|
| SMILES | CC(C(=O)NC(=O)N)OC(=O)C1=C2CCC(=CC3=CC(=C(C=C3)OC)OC)C2=NC4=CC=CC=C41 |
Product Overview
PP1 inhibitor 1 (CAS 752216-12-9), with molecular formula C26H25N3O6 and molecular weight 475.17 g/mol. IUPAC: [1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.
Chemical Property Profile of PP1 inhibitor 1
Property Insights of PP1 inhibitor 1
The XLogP value of 3.479 indicates that PP1 inhibitor 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.84 Ų falls within the moderate polarity range, balancing permeability and solubility for PP1 inhibitor 1. Following Lipinski's Rule of Five, PP1 inhibitor 1 has 2 hydrogen bond donor(s) and 7 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 PP1 inhibitor 1?
The CAS number of PP1 inhibitor 1 is 752216-12-9.
What is the molecular formula of PP1 inhibitor 1?
The molecular formula of PP1 inhibitor 1 is C26H25N3O6.
What is the molecular weight of PP1 inhibitor 1?
The molecular weight of PP1 inhibitor 1 is 475.17 g/mol.
Where can I buy PP1 inhibitor 1?
You can request a quote for PP1 inhibitor 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PP1 inhibitor 1?
Yes, KEHONG BIO provides custom synthesis services for PP1 inhibitor 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.