RefChem:319199
TL;DR: RefChem:319199 (CAS 66902-86-1) is a chemical compound with molecular formula C24H28BrN3O2 and molecular weight 469.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzyl-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl]-methylazanium bromide
Also Known As: Ro 2-2227, Dibenzyl((3-hydroxy-2-pyridyl)methyl)methylammonium bromide dimethylcarbamate (ester), Ammonium, dibenzyl((3-hydroxy-2-pyridyl)methyl)methyl-, bromide, dimethylcarbamate (ester), DIBENZYL-[[3-(DIMETHYLCARBAMOYLOXY)PYRIDIN-2-YL]METHYL]-METHYLAZANIUMBROMIDE, dibenzyl-[[3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl]-methylazanium bromide
| Molecular Formula | C24H28BrN3O2 |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 1.49 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.1365 |
| Heavy Atoms | 30 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 66902-86-1 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C(N=CC=C1)C[N+](C)(CC2=CC=CC=C2)CC3=CC=CC=C3.[Br-] |
| InChIKey | DKCOPUZPPXMXAL-UHFFFAOYSA-M |
Product Overview
RefChem:319199 (CAS 66902-86-1), with molecular formula C24H28BrN3O2 and molecular weight 469.14 g/mol. IUPAC: dibenzyl-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl]-methylazanium bromide.
Chemical Property Profile of RefChem:319199
Property Insights of RefChem:319199
The XLogP value of 1.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319199. With a topological polar surface area (TPSA) of 42.4 Ų, RefChem:319199 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319199 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:319199?
The CAS number of RefChem:319199 is 66902-86-1.
What is the molecular formula of RefChem:319199?
The molecular formula of RefChem:319199 is C24H28BrN3O2.
What is the molecular weight of RefChem:319199?
The molecular weight of RefChem:319199 is 469.14 g/mol.
Where can I buy RefChem:319199?
You can request a quote for RefChem:319199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319199?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.