N-Nitrosobuxten
TL;DR: N-Nitrosobuxten (CAS 62573-57-3) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-pentan-3-ylphenyl) N-methyl-N-nitrosocarbamate
Also Known As: Nitrosobux-ten, N-Nitrosobuxten, Nitrosobuxten, Nitroso-bux-ten, Nitrosobuxten, N-
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 62573-57-3 |
|---|---|
| SMILES | CCC(CC)C1=CC(=CC=C1)OC(=O)N(C)N=O |
| InChIKey | WUCMRTYSFAJAOS-UHFFFAOYSA-N |
Product Overview
N-Nitrosobuxten (CAS 62573-57-3), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: (3-pentan-3-ylphenyl) N-methyl-N-nitrosocarbamate.
Chemical Property Profile of N-Nitrosobuxten
Property Insights of N-Nitrosobuxten
The XLogP value of 3.6 indicates that N-Nitrosobuxten is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, N-Nitrosobuxten exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Nitrosobuxten 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 N-Nitrosobuxten?
The CAS number of N-Nitrosobuxten is 62573-57-3.
What is the molecular formula of N-Nitrosobuxten?
The molecular formula of N-Nitrosobuxten is C13H18N2O3.
What is the molecular weight of N-Nitrosobuxten?
The molecular weight of N-Nitrosobuxten is 250.13 g/mol.
Where can I buy N-Nitrosobuxten?
You can request a quote for N-Nitrosobuxten directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosobuxten?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosobuxten and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.