gamma-Butenyl-(beta-propenyl)nitrosamine
TL;DR: gamma-Butenyl-(beta-propenyl)nitrosamine (CAS 54746-50-8) is a chemical compound with molecular formula C7H12N2O and molecular weight 140.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-but-3-enyl-N-prop-2-enylnitrous amide
Also Known As: N-Allyl-N-nitroso-3-butenylamine, 3-butenyl(2-propenyl)nitrosamine, N-but-3-enyl-N-prop-2-enylnitrous amide, gamma-Butenyl-(beta-propenyl)nitrosamine, 3-Butenyl-(2-propenyl)-N-nitrosamine
| Molecular Formula | C7H12N2O |
|---|---|
| Molecular Weight | 140.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 140.09496 |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 54746-50-8 |
|---|---|
| SMILES | C=CCCN(CC=C)N=O |
| InChIKey | KYOHAYUKUQXZOQ-UHFFFAOYSA-N |
Product Overview
gamma-Butenyl-(beta-propenyl)nitrosamine (CAS 54746-50-8), with molecular formula C7H12N2O and molecular weight 140.09 g/mol. IUPAC: N-but-3-enyl-N-prop-2-enylnitrous amide.
Chemical Property Profile of gamma-Butenyl-(beta-propenyl)nitrosamine
Property Insights of gamma-Butenyl-(beta-propenyl)nitrosamine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for gamma-Butenyl-(beta-propenyl)nitrosamine. With a topological polar surface area (TPSA) of 32.7 Ų, gamma-Butenyl-(beta-propenyl)nitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, gamma-Butenyl-(beta-propenyl)nitrosamine has 0 hydrogen bond donor(s) and 3 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 gamma-Butenyl-(beta-propenyl)nitrosamine?
The CAS number of gamma-Butenyl-(beta-propenyl)nitrosamine is 54746-50-8.
What is the molecular formula of gamma-Butenyl-(beta-propenyl)nitrosamine?
The molecular formula of gamma-Butenyl-(beta-propenyl)nitrosamine is C7H12N2O.
What is the molecular weight of gamma-Butenyl-(beta-propenyl)nitrosamine?
The molecular weight of gamma-Butenyl-(beta-propenyl)nitrosamine is 140.09 g/mol.
Where can I buy gamma-Butenyl-(beta-propenyl)nitrosamine?
You can request a quote for gamma-Butenyl-(beta-propenyl)nitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for gamma-Butenyl-(beta-propenyl)nitrosamine?
Yes, KEHONG BIO provides custom synthesis services for gamma-Butenyl-(beta-propenyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.