RefChem:1049627
TL;DR: RefChem:1049627 (CAS 64050-97-1) is a chemical compound with molecular formula C14H25I2N3O2 and molecular weight 521.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-(methylcarbamoyloxy)-4-(trimethylazaniumyl)phenyl]azanium diiodide
Also Known As: NIOSH/BR2149500, AMMONIUM, 2-HYDROXY-1,4-PHENYLENEBIS(TRIMETHYL-, DIIODIDE, METHYLCARBAMATE, (Hydroxy-p-phenylene)bis(trimethylammonium iodide) methylcarbamate, Carbamic acid, N-methyl-, 2,5-bis(dimethylamino)phenyl ester, dimethiodide, Dimethiodide of N-methylurethane of 2:5-tetramethyldiaminophenol
| Molecular Formula | C14H25I2N3O2 |
|---|---|
| Molecular Weight | 521.00 g/mol |
| LogP | -4.19 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 521.0036 |
| Heavy Atoms | 21 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 64050-97-1 |
|---|---|
| SMILES | CNC(=O)OC1=C(C=CC(=C1)[N+](C)(C)C)[N+](C)(C)C.[I-].[I-] |
| InChIKey | FWCRRGJNNQJZKB-UHFFFAOYSA-M |
Product Overview
RefChem:1049627 (CAS 64050-97-1), with molecular formula C14H25I2N3O2 and molecular weight 521.00 g/mol. IUPAC: trimethyl-[2-(methylcarbamoyloxy)-4-(trimethylazaniumyl)phenyl]azanium diiodide.
Chemical Property Profile of RefChem:1049627
Property Insights of RefChem:1049627
The XLogP value of -4.19 indicates that RefChem:1049627 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.3 Ų, RefChem:1049627 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049627 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1049627?
The CAS number of RefChem:1049627 is 64050-97-1.
What is the molecular formula of RefChem:1049627?
The molecular formula of RefChem:1049627 is C14H25I2N3O2.
What is the molecular weight of RefChem:1049627?
The molecular weight of RefChem:1049627 is 521.00 g/mol.
Where can I buy RefChem:1049627?
You can request a quote for RefChem:1049627 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049627?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049627 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.