RefChem:331976
TL;DR: RefChem:331976 (CAS 100836-74-6) is a chemical compound with molecular formula C16H25ClN2O2 and molecular weight 312.16046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,5-dimethylphenyl)methyl N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
Also Known As: 2,5-Dimethylbenzyl N-(2-pyrrolidinylethyl)carbamate hydrochloride, Carbamic acid, (2-pyrrolidinylethyl)-, 2,5-dimethylbenzyl ester, monohydrochloride, (2,5-dimethylphenyl)methyl N-(2-pyrrolidin-1-ium-1-ylethyl)carbamatechloride, (2,5-dimethylphenyl)methyl N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride, 1-[2-({[(2,5-dimethylbenzyl)oxy]carbonyl}amino)ethyl]pyrrolidinium chloride
Technical Specifications
| Molecular Formula | C16H25ClN2O2 |
| Molecular Weight | 312.16046 g/mol |
| XLogP | -1.79 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.16046 Da |
| Heavy Atoms | 21 |
| Complexity | 303.0 |
| SMILES | CC1=CC(=C(C=C1)C)COC(=O)NCC[NH+]2CCCC2.[Cl-] |
| InChIKey | LPGWDMVGSBPQAP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331976
Property Insights of RefChem:331976
The XLogP value of -1.79 indicates that RefChem:331976 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:331976 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331976 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:331976?
The CAS number of RefChem:331976 is 100836-74-6.
What is the molecular formula of RefChem:331976?
The molecular formula of RefChem:331976 is C16H25ClN2O2.
What is the molecular weight of RefChem:331976?
The molecular weight of RefChem:331976 is 312.16046 g/mol.
Where can I buy RefChem:331976?
You can request a quote for RefChem:331976 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331976?
Yes, CoreyChem provides custom synthesis services for RefChem:331976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.