4-Hydroxybutyl-(2-propenyl)nitrosamine
TL;DR: 4-Hydroxybutyl-(2-propenyl)nitrosamine (CAS 61424-17-7) is a chemical compound with molecular formula C7H14N2O2 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-hydroxybutyl)-N-prop-2-enylnitrous amide
Also Known As: HBPN, 4-hydroxybutyl- nitrosamine, 4-(Allylnitrosamino)-1-butanol, 4-Hydroxybutyl-(2-propenyl)nitrosamine, 4-Hydroxybutyl(2-propenyl)nitrosamine
| Molecular Formula | C7H14N2O2 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.10553 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 61424-17-7 |
|---|---|
| SMILES | C=CCN(CCCCO)N=O |
| InChIKey | DGLIVTKBJCECAC-UHFFFAOYSA-N |
Product Overview
4-Hydroxybutyl-(2-propenyl)nitrosamine (CAS 61424-17-7), with molecular formula C7H14N2O2 and molecular weight 158.11 g/mol. IUPAC: N-(4-hydroxybutyl)-N-prop-2-enylnitrous amide.
Chemical Property Profile of 4-Hydroxybutyl-(2-propenyl)nitrosamine
Property Insights of 4-Hydroxybutyl-(2-propenyl)nitrosamine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxybutyl-(2-propenyl)nitrosamine. With a topological polar surface area (TPSA) of 52.9 Ų, 4-Hydroxybutyl-(2-propenyl)nitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxybutyl-(2-propenyl)nitrosamine has 1 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 4-Hydroxybutyl-(2-propenyl)nitrosamine?
The CAS number of 4-Hydroxybutyl-(2-propenyl)nitrosamine is 61424-17-7.
What is the molecular formula of 4-Hydroxybutyl-(2-propenyl)nitrosamine?
The molecular formula of 4-Hydroxybutyl-(2-propenyl)nitrosamine is C7H14N2O2.
What is the molecular weight of 4-Hydroxybutyl-(2-propenyl)nitrosamine?
The molecular weight of 4-Hydroxybutyl-(2-propenyl)nitrosamine is 158.11 g/mol.
Where can I buy 4-Hydroxybutyl-(2-propenyl)nitrosamine?
You can request a quote for 4-Hydroxybutyl-(2-propenyl)nitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxybutyl-(2-propenyl)nitrosamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxybutyl-(2-propenyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.