RefChem:319200
TL;DR: RefChem:319200 (CAS 66902-87-2) is a chemical compound with molecular formula C18H32BrN3O2 and molecular weight 401.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl]-methylazanium bromide
Also Known As: Ro 2-2279, Dibutyl((3-hydroxy-2-pyridyl)methyl)methylammonium bromide dimethylcarbamate (ester), Ammonium, dibutyl((3-hydroxy-2-pyridyl)methyl)methyl-, bromide, dimethylcarbamate (ester), DIBUTYL-[[3-(DIMETHYLCARBAMOYLOXY)PYRIDIN-2-YL]METHYL]-METHYLAZANIUMBROMIDE, dibutyl-[[3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl]-methylazanium bromide
| Molecular Formula | C18H32BrN3O2 |
|---|---|
| Molecular Weight | 401.17 g/mol |
| LogP | 0.69 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 401.1678 |
| Heavy Atoms | 24 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 66902-87-2 |
|---|---|
| SMILES | CCCC[N+](C)(CCCC)CC1=C(C=CC=N1)OC(=O)N(C)C.[Br-] |
| InChIKey | URCSRVOODCZOSY-UHFFFAOYSA-M |
Product Overview
RefChem:319200 (CAS 66902-87-2), with molecular formula C18H32BrN3O2 and molecular weight 401.17 g/mol. IUPAC: dibutyl-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl]-methylazanium bromide.
Chemical Property Profile of RefChem:319200
Property Insights of RefChem:319200
The XLogP value of 0.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319200. With a topological polar surface area (TPSA) of 42.4 Ų, RefChem:319200 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319200 has 0 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:319200?
The CAS number of RefChem:319200 is 66902-87-2.
What is the molecular formula of RefChem:319200?
The molecular formula of RefChem:319200 is C18H32BrN3O2.
What is the molecular weight of RefChem:319200?
The molecular weight of RefChem:319200 is 401.17 g/mol.
Where can I buy RefChem:319200?
You can request a quote for RefChem:319200 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319200?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319200 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.