1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea
TL;DR: 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea (CAS 119033-98-6) is a chemical compound with molecular formula C12H11ClN4O and molecular weight 262.06213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea
Also Known As: 1-(3-chlorophenyl)-3-(pyrrol-2-ylidenemethylamino)urea, Hydrazinecarboxamide,N-(3-chlorophenyl)-2-(1H-pyrrol-2-ylmethylene)-
Technical Specifications
| Molecular Formula | C12H11ClN4O |
| Molecular Weight | 262.06213 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.06213 Da |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)NN=CC2=CC=CN2 |
| InChIKey | FVBKWVPOKGRVAO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea
Property Insights of 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea. Following Lipinski's Rule of Five, 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea?
The CAS number of 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea is 119033-98-6.
What is the molecular formula of 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea?
The molecular formula of 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea is C12H11ClN4O.
What is the molecular weight of 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea?
The molecular weight of 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea is 262.06213 g/mol.
Where can I buy 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea?
You can request a quote for 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea?
Yes, CoreyChem provides custom synthesis services for 1-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.