Nexinhib 20
TL;DR: Nexinhib 20 (CAS 331949-35-0) is a chemical compound with molecular formula C15H16N4O3 and molecular weight 300.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one
Also Known As: Nexinhib20, Nexinhib 20, BAS 00665669, 4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one
| Molecular Formula | C15H16N4O3 |
|---|---|
| Molecular Weight | 300.12 g/mol |
| LogP | 2.7996 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.12225 |
| Heavy Atoms | 22 |
| Complexity | 727.49585 |
Chemical Identifiers
| CAS Number | 331949-35-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])N2C=NC=N2 |
Product Overview
Nexinhib 20 (CAS 331949-35-0), with molecular formula C15H16N4O3 and molecular weight 300.12 g/mol. IUPAC: 4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one.
Chemical Property Profile of Nexinhib 20
Property Insights of Nexinhib 20
The XLogP value of 2.7996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nexinhib 20. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Nexinhib 20. Following Lipinski's Rule of Five, Nexinhib 20 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 Nexinhib 20?
The CAS number of Nexinhib 20 is 331949-35-0.
What is the molecular formula of Nexinhib 20?
The molecular formula of Nexinhib 20 is C15H16N4O3.
What is the molecular weight of Nexinhib 20?
The molecular weight of Nexinhib 20 is 300.12 g/mol.
Where can I buy Nexinhib 20?
You can request a quote for Nexinhib 20 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nexinhib 20?
Yes, KEHONG BIO provides custom synthesis services for Nexinhib 20 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.