RefChem:1069622
TL;DR: RefChem:1069622 (CAS 91417-87-7) is a chemical compound with molecular formula C10H16ClN3O2 and molecular weight 245.09311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[1-(cyanomethyl)-3,4-dihydro-2H-pyrrol-1-ium-5-yl]amino]butanoic acid chloride
Also Known As: Butanoic acid, 4-((1-(cyanomethyl)-2-pyrrolidinylidene)amino)-, monohydrochloride, 1-Cyanomethyl-2-(N-(gamma-carboxypropyl))iminopyrrolidine hydrochloride, 4-((1-(Cyanomethyl)-2-pyrrolidinylidene)amino)butanoic acid monohydrochloride, 4-((1-(Cyanomethyl)pyrrolidin-2-ylidene)amino)butanoic acid--hydrogen chloride (1/1), 4-[[1-(cyanomethyl)-3,4-dihydro-2H-pyrrol-1-ium-5-yl]amino]butanoic acid chloride
Technical Specifications
| Molecular Formula | C10H16ClN3O2 |
| Molecular Weight | 245.09311 g/mol |
| XLogP | -2.83 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.09311 Da |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
| SMILES | C1CC(=[N+](C1)CC#N)NCCCC(=O)O.[Cl-] |
| InChIKey | BWZCPQQNZKVZBG-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1069622
Property Insights of RefChem:1069622
The XLogP value of -2.83 indicates that RefChem:1069622 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1069622. Following Lipinski's Rule of Five, RefChem:1069622 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1069622?
The CAS number of RefChem:1069622 is 91417-87-7.
What is the molecular formula of RefChem:1069622?
The molecular formula of RefChem:1069622 is C10H16ClN3O2.
What is the molecular weight of RefChem:1069622?
The molecular weight of RefChem:1069622 is 245.09311 g/mol.
Where can I buy RefChem:1069622?
You can request a quote for RefChem:1069622 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1069622?
Yes, CoreyChem provides custom synthesis services for RefChem:1069622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.