![4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide structure](/static/products/294/294875-95-9.png)
4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide
TL;DR: 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide (CAS 294875-95-9) is a chemical compound with molecular formula C12H11N3O and molecular weight 213.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-pyrrol-2-ylmethylideneamino)benzamide
Also Known As: SDCCGMLS-0064800.P001, 4-(pyrrol-2-ylidenemethylamino)benzamide, Benzamide, 4-(2-pyrrolylmethylenamino)-, 4-[(1H-pyrrol-2-ylmethylene)amino]benzamide, 4-((1E)-2-pyrrol-2-yl-1-azavinyl)benzamide
| Molecular Formula | C12H11N3O |
|---|---|
| Molecular Weight | 213.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.09021 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 294875-95-9 |
|---|---|
| SMILES | C1=CNC(=C1)C=NC2=CC=C(C=C2)C(=O)N |
| InChIKey | FXZGYYXKZWNUSY-UHFFFAOYSA-N |
Product Overview
4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide (CAS 294875-95-9), with molecular formula C12H11N3O and molecular weight 213.09 g/mol. IUPAC: 4-(1H-pyrrol-2-ylmethylideneamino)benzamide.
Chemical Property Profile of 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide
Property Insights of 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide. Following Lipinski's Rule of Five, 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide has 2 hydrogen bond donor(s) and 2 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 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide?
The CAS number of 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide is 294875-95-9.
What is the molecular formula of 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide?
The molecular formula of 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide is C12H11N3O.
What is the molecular weight of 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide?
The molecular weight of 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide is 213.09 g/mol.
Where can I buy 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide?
You can request a quote for 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(E)-1H-pyrrol-2-ylmethylidene]amino}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.