RefChem:318635
TL;DR: RefChem:318635 (CAS 66967-93-9) is a chemical compound with molecular formula C23H25BrN2O2 and molecular weight 440.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,2-diphenylacetyl)oxy-2-pyridinyl]methyl-trimethylazanium bromide
Also Known As: Ro 2-3128, Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, diphenylacetate (ester), ((3-Hydroxy-2-pyridyl)methyl)trimethylammonium bromide diphenylacetate (ester), [3-(2,2-diphenylacetyl)oxypyridin-2-yl]methyl-trimethylazanium bromide, {3-[(Diphenylacetyl)oxy]pyridin-2-yl}-N,N,N-trimethylmethanaminium bromide
| Molecular Formula | C23H25BrN2O2 |
|---|---|
| Molecular Weight | 440.11 g/mol |
| LogP | 1.03 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.10995 |
| Heavy Atoms | 28 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 66967-93-9 |
|---|---|
| SMILES | C[N+](C)(C)CC1=C(C=CC=N1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Br-] |
| InChIKey | GKXBZCLFXGSPMX-UHFFFAOYSA-M |
Product Overview
RefChem:318635 (CAS 66967-93-9), with molecular formula C23H25BrN2O2 and molecular weight 440.11 g/mol. IUPAC: [3-(2,2-diphenylacetyl)oxy-2-pyridinyl]methyl-trimethylazanium bromide.
Chemical Property Profile of RefChem:318635
Property Insights of RefChem:318635
The XLogP value of 1.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318635. With a topological polar surface area (TPSA) of 39.2 Ų, RefChem:318635 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318635 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:318635?
The CAS number of RefChem:318635 is 66967-93-9.
What is the molecular formula of RefChem:318635?
The molecular formula of RefChem:318635 is C23H25BrN2O2.
What is the molecular weight of RefChem:318635?
The molecular weight of RefChem:318635 is 440.11 g/mol.
Where can I buy RefChem:318635?
You can request a quote for RefChem:318635 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318635?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318635 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.