RefChem:332594
TL;DR: RefChem:332594 (CAS 63884-71-9) is a chemical compound with molecular formula C13H21ClN2O2 and molecular weight 272.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(dimethylcarbamoyloxy)phenyl]ethyl-dimethylazanium chloride
Also Known As: Dimethylcarbamic ester of hordenine hydrochloride, Phenethylamine, N,N-dimethyl-p-(N',N'-dimethylcarbamoyloxy)-, hydrochloride, Carbamic acid, N,N-dimethyl-, 4-(beta-dimethylaminoethyl)phenyl ester, hydrochloride, Carbamic acid, N,N-dimethyl-, p-(beta-dimethylaminoethyl)phenyl ester, hydrochloride, 2-[4-(dimethylcarbamoyloxy)phenyl]ethyl-dimethylazanium chloride
| Molecular Formula | C13H21ClN2O2 |
|---|---|
| Molecular Weight | 272.13 g/mol |
| LogP | -2.56 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.12915 |
| Heavy Atoms | 18 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 63884-71-9 |
|---|---|
| SMILES | C[NH+](C)CCC1=CC=C(C=C1)OC(=O)N(C)C.[Cl-] |
| InChIKey | SESWQBHQDSLEGM-UHFFFAOYSA-N |
Product Overview
RefChem:332594 (CAS 63884-71-9), with molecular formula C13H21ClN2O2 and molecular weight 272.13 g/mol. IUPAC: 2-[4-(dimethylcarbamoyloxy)phenyl]ethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:332594
Property Insights of RefChem:332594
The XLogP value of -2.56 indicates that RefChem:332594 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.0 Ų, RefChem:332594 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:332594 has 1 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:332594?
The CAS number of RefChem:332594 is 63884-71-9.
What is the molecular formula of RefChem:332594?
The molecular formula of RefChem:332594 is C13H21ClN2O2.
What is the molecular weight of RefChem:332594?
The molecular weight of RefChem:332594 is 272.13 g/mol.
Where can I buy RefChem:332594?
You can request a quote for RefChem:332594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332594?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.