VU0513444-1
TL;DR: VU0513444-1 (CAS 329934-35-2) is a chemical compound with molecular formula C20H18N4O3 and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-4-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-phenylpyrazol-3-one
Also Known As: VU0513444-1, F3220-0142, 1,5-dimethyl-4-((E)-((E)-3-(4-nitrophenyl)allylidene)amino)-2-phenyl-1H-pyrazol-3(2H)-one, 1,5-dimethyl-4-[(E)-[(2E)-3-(4-nitrophenyl)prop-2-en-1-ylidene]amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, 1,5-dimethyl-4-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-phenylpyrazol-3-one
| Molecular Formula | C20H18N4O3 |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 3.80832 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.13788 |
| Heavy Atoms | 27 |
| Complexity | 1074.9098 |
Chemical Identifiers
| CAS Number | 329934-35-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C/C=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
VU0513444-1 (CAS 329934-35-2), with molecular formula C20H18N4O3 and molecular weight 362.14 g/mol. IUPAC: 1,5-dimethyl-4-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-phenylpyrazol-3-one.
Chemical Property Profile of VU0513444-1
Property Insights of VU0513444-1
The XLogP value of 3.80832 indicates that VU0513444-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.43 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0513444-1. Following Lipinski's Rule of Five, VU0513444-1 has 0 hydrogen bond donor(s) and 4 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 VU0513444-1?
The CAS number of VU0513444-1 is 329934-35-2.
What is the molecular formula of VU0513444-1?
The molecular formula of VU0513444-1 is C20H18N4O3.
What is the molecular weight of VU0513444-1?
The molecular weight of VU0513444-1 is 362.14 g/mol.
Where can I buy VU0513444-1?
You can request a quote for VU0513444-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0513444-1?
Yes, KEHONG BIO provides custom synthesis services for VU0513444-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.