EINECS 303-427-3
TL;DR: EINECS 303-427-3 (CAS 94199-54-9) is a chemical compound with molecular formula C16H11ClN6O4 and molecular weight 386.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chloro-2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide
Also Known As: EINECS 303-427-3, 4-[(4-CHLORO-2-NITROPHENYL)AZO]-4,5-DIHYDRO-5-OXO-1-PHENYL-1H-PYRAZOLE-3-CARBOXAMIDE, 4-((4-Chloro-2-nitrophenyl)azo)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxamide, 4-[ azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxamide, 4-[(4-chloro-2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide
| Molecular Formula | C16H11ClN6O4 |
|---|---|
| Molecular Weight | 386.05 g/mol |
| LogP | 2.5886 |
| Topological Polar Surface Area | 143.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.05304 |
| Heavy Atoms | 27 |
| Complexity | 991.66 |
Chemical Identifiers
| CAS Number | 94199-54-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(C(=N2)C(=O)N)N=NC3=C(C=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
EINECS 303-427-3 (CAS 94199-54-9), with molecular formula C16H11ClN6O4 and molecular weight 386.05 g/mol. IUPAC: 4-[(4-chloro-2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide.
Chemical Property Profile of EINECS 303-427-3
Property Insights of EINECS 303-427-3
The XLogP value of 2.5886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 303-427-3. The TPSA of 143.62 Ų indicates high polarity, suggesting EINECS 303-427-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 303-427-3 has 1 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 EINECS 303-427-3?
The CAS number of EINECS 303-427-3 is 94199-54-9.
What is the molecular formula of EINECS 303-427-3?
The molecular formula of EINECS 303-427-3 is C16H11ClN6O4.
What is the molecular weight of EINECS 303-427-3?
The molecular weight of EINECS 303-427-3 is 386.05 g/mol.
Where can I buy EINECS 303-427-3?
You can request a quote for EINECS 303-427-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 303-427-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 303-427-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.