1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea
TL;DR: 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea (CAS 140867-50-1) is a chemical compound with molecular formula C9H9N7O and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-amino-3,3,4-tricyano-2-methyl-2H-pyrrol-1-yl)urea
Also Known As: (5-amino-3,3,4-tricyano-2-methyl-2H-pyrrol-1-yl)urea, 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea
| Molecular Formula | C9H9N7O |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | -0.99876 |
| Topological Polar Surface Area | 155.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.08685 |
| Heavy Atoms | 17 |
| Complexity | 500.93314 |
Chemical Identifiers
| CAS Number | 140867-50-1 |
|---|---|
| SMILES | CC1C(C(=C(N1NC(=O)N)N)C#N)(C#N)C#N |
Product Overview
1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea (CAS 140867-50-1), with molecular formula C9H9N7O and molecular weight 231.09 g/mol. IUPAC: (5-amino-3,3,4-tricyano-2-methyl-2H-pyrrol-1-yl)urea.
Chemical Property Profile of 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea
Property Insights of 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea
The XLogP value of -0.99876 indicates that 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.75 Ų indicates high polarity, suggesting 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea has 3 hydrogen bond donor(s) and 6 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 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea?
The CAS number of 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea is 140867-50-1.
What is the molecular formula of 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea?
The molecular formula of 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea is C9H9N7O.
What is the molecular weight of 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea?
The molecular weight of 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea is 231.09 g/mol.
Where can I buy 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea?
You can request a quote for 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-amino-3,3,4-tricyano-2-methyl-2,3-dihydro-1H-pyrrol-1-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.