Nitroso-bux-ten
TL;DR: Nitroso-bux-ten (CAS 57679-08-0) is a chemical compound with molecular formula C26H35N4O6- and molecular weight 499.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-nitroso-N-[(3-pentan-2-ylphenyl)methyl]carbamate;(3-pentan-3-ylphenyl) N-methyl-N-nitrosocarbamate
Also Known As: Nitroso-bux-ten, Nitrosobux-ten, Phenol, 3-(1-ethylpropyl)-, methylnitrosocarbamate, mixed with 3-(1-methylbutyl)phenylmethylnitrosocarbamate, N-nitroso-N-[(3-pentan-2-ylphenyl)methyl]carbamate; (3-pentan-3-ylphenyl) N-methyl-N-nitrosocarbamate, RefChem:365732
| Molecular Formula | C26H35N4O6- |
|---|---|
| Molecular Weight | 499.26 g/mol |
| LogP | 6.1191 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 499.25565 |
| Heavy Atoms | 36 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 57679-08-0 |
|---|---|
| SMILES | CCCC(C)C1=CC=CC(=C1)CN(C(=O)[O-])N=O.CCC(CC)C1=CC(=CC=C1)OC(=O)N(C)N=O |
| InChIKey | XKVNAMFRLSJIGG-UHFFFAOYSA-M |
Product Overview
Nitroso-bux-ten (CAS 57679-08-0), with molecular formula C26H35N4O6- and molecular weight 499.26 g/mol. IUPAC: N-nitroso-N-[(3-pentan-2-ylphenyl)methyl]carbamate;(3-pentan-3-ylphenyl) N-methyl-N-nitrosocarbamate.
Chemical Property Profile of Nitroso-bux-ten
Property Insights of Nitroso-bux-ten
The XLogP value of 6.1191 indicates that Nitroso-bux-ten is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitroso-bux-ten. Following Lipinski's Rule of Five, Nitroso-bux-ten has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nitroso-bux-ten?
The CAS number of Nitroso-bux-ten is 57679-08-0.
What is the molecular formula of Nitroso-bux-ten?
The molecular formula of Nitroso-bux-ten is C26H35N4O6-.
What is the molecular weight of Nitroso-bux-ten?
The molecular weight of Nitroso-bux-ten is 499.26 g/mol.
Where can I buy Nitroso-bux-ten?
You can request a quote for Nitroso-bux-ten directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitroso-bux-ten?
Yes, KEHONG BIO provides custom synthesis services for Nitroso-bux-ten and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.