N-nitroso(2-oxobutyl)(2-oxopropyl)amine
TL;DR: N-nitroso(2-oxobutyl)(2-oxopropyl)amine (CAS 77698-20-5) is a chemical compound with molecular formula C7H12N2O3 and molecular weight 172.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-oxobutyl)-N-(2-oxopropyl)nitrous amide
Also Known As: OBOB, N-OBOB, N-Nitroso(2-oxobutyl)(2-oxopropyl)amine, N-(2-oxobutyl)-N-(2-oxopropyl)nitrous amide, 2-Butanone,1-[nitroso(2-oxopropyl)amino]-
| Molecular Formula | C7H12N2O3 |
|---|---|
| Molecular Weight | 172.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.0848 |
| Heavy Atoms | 12 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 77698-20-5 |
|---|---|
| SMILES | CCC(=O)CN(CC(=O)C)N=O |
| InChIKey | PMENDGPEYXEHSF-UHFFFAOYSA-N |
Product Overview
N-nitroso(2-oxobutyl)(2-oxopropyl)amine (CAS 77698-20-5), with molecular formula C7H12N2O3 and molecular weight 172.08 g/mol. IUPAC: N-(2-oxobutyl)-N-(2-oxopropyl)nitrous amide.
Chemical Property Profile of N-nitroso(2-oxobutyl)(2-oxopropyl)amine
Property Insights of N-nitroso(2-oxobutyl)(2-oxopropyl)amine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-nitroso(2-oxobutyl)(2-oxopropyl)amine. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-nitroso(2-oxobutyl)(2-oxopropyl)amine. Following Lipinski's Rule of Five, N-nitroso(2-oxobutyl)(2-oxopropyl)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-nitroso(2-oxobutyl)(2-oxopropyl)amine?
The CAS number of N-nitroso(2-oxobutyl)(2-oxopropyl)amine is 77698-20-5.
What is the molecular formula of N-nitroso(2-oxobutyl)(2-oxopropyl)amine?
The molecular formula of N-nitroso(2-oxobutyl)(2-oxopropyl)amine is C7H12N2O3.
What is the molecular weight of N-nitroso(2-oxobutyl)(2-oxopropyl)amine?
The molecular weight of N-nitroso(2-oxobutyl)(2-oxopropyl)amine is 172.08 g/mol.
Where can I buy N-nitroso(2-oxobutyl)(2-oxopropyl)amine?
You can request a quote for N-nitroso(2-oxobutyl)(2-oxopropyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-nitroso(2-oxobutyl)(2-oxopropyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-nitroso(2-oxobutyl)(2-oxopropyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.