Ro 1-5516
TL;DR: Ro 1-5516 (CAS 67465-49-0) is a chemical compound with molecular formula C14H25BrClN3O2 and molecular weight 381.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[2-(diethylamino)ethyl]pyridin-1-ium-3-yl] N,N-dimethylcarbamate;bromide;hydrochloride
Also Known As: Ro 1-5516, Pyridinium, 1-(2-(diethylamino)ethyl)-3-hydroxy-, bromide, dimethylcarbamate (ester), hydrochloride, [1-(2-diethylaminoethyl)pyridin-1-ium-3-yl] N,N-dimethylcarbamate bromide hydrochloride, 1-[2-(Diethylamino)ethyl]-3-[(dimethylcarbamoyl)oxy]pyridin-1-ium bromide--hydrogen chloride (1/1/1), Pyridinium, 1-[2-(diethylamino)ethyl]-3-[[(dimethylamino)carbonyl]oxy]-, bromide, monohydrochloride
| Molecular Formula | C14H25BrClN3O2 |
|---|---|
| Molecular Weight | 381.08 g/mol |
| LogP | -1.1979 |
| Topological Polar Surface Area | 36.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.08188 |
| Heavy Atoms | 21 |
| Complexity | 414.9605 |
Chemical Identifiers
| CAS Number | 67465-49-0 |
|---|---|
| SMILES | CCN(CC)CC[N+]1=CC=CC(=C1)OC(=O)N(C)C.Cl.[Br-] |
Product Overview
Ro 1-5516 (CAS 67465-49-0), with molecular formula C14H25BrClN3O2 and molecular weight 381.08 g/mol. IUPAC: [1-[2-(diethylamino)ethyl]pyridin-1-ium-3-yl] N,N-dimethylcarbamate;bromide;hydrochloride.
Chemical Property Profile of Ro 1-5516
Property Insights of Ro 1-5516
The XLogP value of -1.1979 indicates that Ro 1-5516 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.66 Ų, Ro 1-5516 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 1-5516 has 0 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 Ro 1-5516?
The CAS number of Ro 1-5516 is 67465-49-0.
What is the molecular formula of Ro 1-5516?
The molecular formula of Ro 1-5516 is C14H25BrClN3O2.
What is the molecular weight of Ro 1-5516?
The molecular weight of Ro 1-5516 is 381.08 g/mol.
Where can I buy Ro 1-5516?
You can request a quote for Ro 1-5516 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 1-5516?
Yes, KEHONG BIO provides custom synthesis services for Ro 1-5516 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.