2-Cbppop
TL;DR: 2-Cbppop (CAS 13881-41-9) is a chemical compound with molecular formula C26H18N4O2S and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-oxo-N-phenyl-3-(1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)propanamide
Also Known As: 2-Cbppop, 2-Cyano-3-(1,4-dihydro-1-phenyl-(1)-benzothiopyrano(4,3-c)pyrazol-3-yl)-3-oxo-N-phenylpropanamide, 2-cyano-3-oxo-n-phenyl-3-(1-phenyl-1,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl)propanamide, 2-cyano-3-oxo-N-phenyl-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanamide, alpha-Cyano-1,4-dihydro-beta-oxo-N,1-diphenyl-(1)benzothiopyrano(4,3-c)pyrazole-3-propanamide
| Molecular Formula | C26H18N4O2S |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.11505 |
| Heavy Atoms | 33 |
| Complexity | 769.0 |
Chemical Identifiers
| CAS Number | 13881-41-9 |
|---|---|
| SMILES | C1C2=C(C3=CC=CC=C3S1)N(N=C2C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | BGOWFIJRIJEOHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cbppop (CAS 13881-41-9), with molecular formula C26H18N4O2S and molecular weight 450.12 g/mol. IUPAC: 2-cyano-3-oxo-N-phenyl-3-(1-phenyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)propanamide.
Chemical Property Profile of 2-Cbppop
Property Insights of 2-Cbppop
The XLogP value of 5.2 indicates that 2-Cbppop is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cbppop. Following Lipinski's Rule of Five, 2-Cbppop has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Cbppop?
The CAS number of 2-Cbppop is 13881-41-9.
What is the molecular formula of 2-Cbppop?
The molecular formula of 2-Cbppop is C26H18N4O2S.
What is the molecular weight of 2-Cbppop?
The molecular weight of 2-Cbppop is 450.12 g/mol.
Where can I buy 2-Cbppop?
You can request a quote for 2-Cbppop directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cbppop?
Yes, KEHONG BIO provides custom synthesis services for 2-Cbppop and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.