N-Nitrosobis(2-oxobutyl)amine
TL;DR: N-Nitrosobis(2-oxobutyl)amine (CAS 77698-19-2) is a chemical compound with molecular formula C8H14N2O3 and molecular weight 186.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-oxobutyl)nitrous amide
Also Known As: N-Nitrosobis(2-oxobutyl)amine, Bis(2-oxobutyl)nitrosamine, N,N-bis nitrousamide, N-BOB, N,N-bis(2-oxobutyl)nitrous amide
| Molecular Formula | C8H14N2O3 |
|---|---|
| Molecular Weight | 186.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.10045 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 77698-19-2 |
|---|---|
| SMILES | CCC(=O)CN(CC(=O)CC)N=O |
| InChIKey | QSZKSGSXMHZCEF-UHFFFAOYSA-N |
Product Overview
N-Nitrosobis(2-oxobutyl)amine (CAS 77698-19-2), with molecular formula C8H14N2O3 and molecular weight 186.10 g/mol. IUPAC: N,N-bis(2-oxobutyl)nitrous amide.
Chemical Property Profile of N-Nitrosobis(2-oxobutyl)amine
Property Insights of N-Nitrosobis(2-oxobutyl)amine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitrosobis(2-oxobutyl)amine. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Nitrosobis(2-oxobutyl)amine. Following Lipinski's Rule of Five, N-Nitrosobis(2-oxobutyl)amine has 0 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 N-Nitrosobis(2-oxobutyl)amine?
The CAS number of N-Nitrosobis(2-oxobutyl)amine is 77698-19-2.
What is the molecular formula of N-Nitrosobis(2-oxobutyl)amine?
The molecular formula of N-Nitrosobis(2-oxobutyl)amine is C8H14N2O3.
What is the molecular weight of N-Nitrosobis(2-oxobutyl)amine?
The molecular weight of N-Nitrosobis(2-oxobutyl)amine is 186.10 g/mol.
Where can I buy N-Nitrosobis(2-oxobutyl)amine?
You can request a quote for N-Nitrosobis(2-oxobutyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosobis(2-oxobutyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosobis(2-oxobutyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.