![Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI) structure](/static/products/288/288077-60-1.png)
Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI)
TL;DR: Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI) (CAS 288077-60-1) is a chemical compound with molecular formula C23H28N6O3 and molecular weight 436.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine
Also Known As: Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI), Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]- (9CI)
| Molecular Formula | C23H28N6O3 |
|---|---|
| Molecular Weight | 436.22 g/mol |
| LogP | 2.5833 |
| Topological Polar Surface Area | 113.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.2223 |
| Heavy Atoms | 32 |
| Complexity | 1063.3564 |
Chemical Identifiers
| CAS Number | 288077-60-1 |
|---|---|
| SMILES | CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N |
Product Overview
Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI) (CAS 288077-60-1), with molecular formula C23H28N6O3 and molecular weight 436.22 g/mol. IUPAC: 1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine.
Chemical Property Profile of Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI)
Property Insights of Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI)
The XLogP value of 2.5833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI). The TPSA of 113.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI). Following Lipinski's Rule of Five, Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI) has 2 hydrogen bond donor(s) and 5 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 Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI)?
The CAS number of Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI) is 288077-60-1.
What is the molecular formula of Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI)?
The molecular formula of Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI) is C23H28N6O3.
What is the molecular weight of Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI)?
The molecular weight of Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI) is 436.22 g/mol.
Where can I buy Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI)?
You can request a quote for Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI)?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-[[(3S)-3-[[(cyanoamino)[(2-methyl-5-benzofuranyl)amino]methylene]amino]hexahydro-2-oxo-1H-azepin-1-yl]acetyl]-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.