RefChem:331977
TL;DR: RefChem:331977 (CAS 100836-75-7) is a chemical compound with molecular formula C16H25ClN2O2 and molecular weight 312.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
Also Known As: 2,6-Dimethylbenzyl N-(2-pyrrolidinylethyl)carbamate hydrochloride, Carbamic acid, (2-pyrrolidinylethyl)-, 2,6-dimethylbenzyl ester, monohydrochloride, (2,6-Dimethylphenyl)methyl N-(2-pyrrolidin-1-ium-1-ylethyl)carbamatechloride, (2,6-dimethylphenyl)methylN-(2-pyrrolidin-1-ium-1-ylethyl)carbamate, (2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
| Molecular Formula | C16H25ClN2O2 |
|---|---|
| Molecular Weight | 312.16 g/mol |
| LogP | -1.79 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.16046 |
| Heavy Atoms | 21 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 100836-75-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)COC(=O)NCC[NH+]2CCCC2.[Cl-] |
| InChIKey | WPJMLKQEFRMDGM-UHFFFAOYSA-N |
Product Overview
RefChem:331977 (CAS 100836-75-7), with molecular formula C16H25ClN2O2 and molecular weight 312.16 g/mol. IUPAC: (2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride.
Chemical Property Profile of RefChem:331977
Property Insights of RefChem:331977
The XLogP value of -1.79 indicates that RefChem:331977 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:331977 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331977 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
Frequently Asked Questions
What is the CAS number of RefChem:331977?
The CAS number of RefChem:331977 is 100836-75-7.
What is the molecular formula of RefChem:331977?
The molecular formula of RefChem:331977 is C16H25ClN2O2.
What is the molecular weight of RefChem:331977?
The molecular weight of RefChem:331977 is 312.16 g/mol.
Where can I buy RefChem:331977?
You can request a quote for RefChem:331977 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331977?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331977 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.