RefChem:1076865
TL;DR: RefChem:1076865 (CAS 74203-53-5) is a chemical compound with molecular formula C23H37BrN4O3 and molecular weight 496.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-phenylazaniumyl]ethyl-diethyl-methylazanium;methanolate;bromide
Also Known As: Ro 2-2267, Ammonium, diethyl((N-(3-hydroxy-2-pyridyl)methyl-N-phenylamino)ethyl)methyl-, bromide, dimethylcarbamate (ester), methanoate, 2-[[3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl-phenylazaniumyl]ethyl-diethyl-methylazanium; methanolate; bromide, AMMONIUM, DIETHYL((N-(3-HYDROXY-2-PYRIDYL)METHYL-N-PHENYLAMINO)ETHYL)METHYL-, BR, Ethanaminium, 2-[[[3-[[(dimethylamino)carbonyl]oxy]-2-pyridinyl]methyl]phenylamino]-N,N-diethyl-N-methyl-, bromide, monoformate
| Molecular Formula | C23H37BrN4O3 |
|---|---|
| Molecular Weight | 496.20 g/mol |
| LogP | -1.67 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 496.2049 |
| Heavy Atoms | 31 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 74203-53-5 |
|---|---|
| SMILES | CC[N+](C)(CC)CC[NH+](CC1=C(C=CC=N1)OC(=O)N(C)C)C2=CC=CC=C2.C[O-].[Br-] |
| InChIKey | XTOXOUGYKULAGY-UHFFFAOYSA-N |
Product Overview
RefChem:1076865 (CAS 74203-53-5), with molecular formula C23H37BrN4O3 and molecular weight 496.20 g/mol. IUPAC: 2-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-phenylazaniumyl]ethyl-diethyl-methylazanium;methanolate;bromide.
Chemical Property Profile of RefChem:1076865
Property Insights of RefChem:1076865
The XLogP value of -1.67 indicates that RefChem:1076865 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1076865. Following Lipinski's Rule of Five, RefChem:1076865 has 1 hydrogen bond donor(s) and 5 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:1076865?
The CAS number of RefChem:1076865 is 74203-53-5.
What is the molecular formula of RefChem:1076865?
The molecular formula of RefChem:1076865 is C23H37BrN4O3.
What is the molecular weight of RefChem:1076865?
The molecular weight of RefChem:1076865 is 496.20 g/mol.
Where can I buy RefChem:1076865?
You can request a quote for RefChem:1076865 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076865?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076865 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.