![2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide structure](/static/products/514/514817-87-9.png)
2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide
TL;DR: 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide (CAS 514817-87-9) is a chemical compound with molecular formula C13H13ClN4O and molecular weight 276.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide
Also Known As: 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide, 2-chloro-N'-[(E)-(1-ethyl-1H-pyrazol-4-yl)methylidene]benzohydrazide, 2-chloro-N'-[(1-ethyl-1H-pyrazol-4-yl)methylene]benzohydrazide, N-[(1E)-2-(1-ethylpyrazol-4-yl)-1-azavinyl](2-chlorophenyl)carboxamide
| Molecular Formula | C13H13ClN4O |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | 2.3203 |
| Topological Polar Surface Area | 59.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.0778 |
| Heavy Atoms | 19 |
| Complexity | 606.1956 |
Chemical Identifiers
| CAS Number | 514817-87-9 |
|---|---|
| SMILES | CCN1C=C(C=N1)/C=N/NC(=O)C2=CC=CC=C2Cl |
Product Overview
2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide (CAS 514817-87-9), with molecular formula C13H13ClN4O and molecular weight 276.08 g/mol. IUPAC: 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide.
Chemical Property Profile of 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide
Property Insights of 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide
The XLogP value of 2.3203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide. With a topological polar surface area (TPSA) of 59.28 Ų, 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide has 1 hydrogen bond donor(s) and 3 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 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide?
The CAS number of 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide is 514817-87-9.
What is the molecular formula of 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide?
The molecular formula of 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide is C13H13ClN4O.
What is the molecular weight of 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide?
The molecular weight of 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide is 276.08 g/mol.
Where can I buy 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide?
You can request a quote for 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[(E)-(1-ethylpyrazol-4-yl)methylideneamino]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.