RefChem:332357
TL;DR: RefChem:332357 (CAS 69781-53-9) is a chemical compound with molecular formula C11H18ClN3O2 and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethylazanium chloride
Also Known As: Ro 2-2126/1, Carbamic acid, dimethyl-, (2-((dimethylamino)methyl)-3-pyridyl) ester, hydrochloride, Dimethylcarbamic acid (2-((dimethylamino)methyl)-3-pyridyl) ester hydrochloride, [3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl-dimethylazanium chloride, RefChem:332357
| Molecular Formula | C11H18ClN3O2 |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | -3.21 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.10876 |
| Heavy Atoms | 17 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 69781-53-9 |
|---|---|
| SMILES | C[NH+](C)CC1=C(C=CC=N1)OC(=O)N(C)C.[Cl-] |
| InChIKey | CVVPSMJCFBFYJJ-UHFFFAOYSA-N |
Product Overview
RefChem:332357 (CAS 69781-53-9), with molecular formula C11H18ClN3O2 and molecular weight 259.11 g/mol. IUPAC: [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:332357
Property Insights of RefChem:332357
The XLogP value of -3.21 indicates that RefChem:332357 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.9 Ų, RefChem:332357 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:332357 has 1 hydrogen bond donor(s) and 4 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:332357?
The CAS number of RefChem:332357 is 69781-53-9.
What is the molecular formula of RefChem:332357?
The molecular formula of RefChem:332357 is C11H18ClN3O2.
What is the molecular weight of RefChem:332357?
The molecular weight of RefChem:332357 is 259.11 g/mol.
Where can I buy RefChem:332357?
You can request a quote for RefChem:332357 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332357?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332357 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.