RefChem:1062058
TL;DR: RefChem:1062058 (CAS 100836-82-6) is a chemical compound with molecular formula C13H18Cl2N2O2 and molecular weight 304.07452 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-pyrrolidin-1-ium-1-ylethyl N-(2-chlorophenyl)carbamate chloride
Also Known As: 2-(Pyrrolidinyl)ethyl 2-chlorocarbanilate hydrochloride, 2-pyrrolidin-1-ium-1-ylethyl N-(2-chlorophenyl)carbamate chloride, 2-pyrrolidin-1-ium-1-ylethylN-(2-chlorophenyl)carbamate, CARBANILIC ACID, 2-CHLORO-, 2-(PYRROLIDINYL)ETHYL ESTER, MONOHYDROCHLORIDE, 1-(2-{[(2-chlorophenyl)carbamoyl]oxy}ethyl)pyrrolidinium chloride
Technical Specifications
| Molecular Formula | C13H18Cl2N2O2 |
| Molecular Weight | 304.07452 g/mol |
| XLogP | -1.43 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.07452 Da |
| Heavy Atoms | 19 |
| Complexity | 270.0 |
| SMILES | C1CC[NH+](C1)CCOC(=O)NC2=CC=CC=C2Cl.[Cl-] |
| InChIKey | RCMOHZNFLDFWLN-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1062058
Property Insights of RefChem:1062058
The XLogP value of -1.43 indicates that RefChem:1062058 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1062058 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062058 has 2 hydrogen bond donor(s) and 3 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:1062058?
The CAS number of RefChem:1062058 is 100836-82-6.
What is the molecular formula of RefChem:1062058?
The molecular formula of RefChem:1062058 is C13H18Cl2N2O2.
What is the molecular weight of RefChem:1062058?
The molecular weight of RefChem:1062058 is 304.07452 g/mol.
Where can I buy RefChem:1062058?
You can request a quote for RefChem:1062058 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1062058?
Yes, CoreyChem provides custom synthesis services for RefChem:1062058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.