5-prop-2-enoxypentanal
TL;DR: 5-prop-2-enoxypentanal (CAS 176915-87-0) is a chemical compound with molecular formula C20H26Cl2N4O3 and molecular weight 440.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1-nitroacridin-9-yl)hydroxylamine;dihydrochloride
Also Known As: 5-prop-2-enoxypentanal, 1,3-Propanediamine, N,N-dimethyl-N'-(4,5-dimethyl-1-nitro-9-acridinyl)-, N-oxide, dihydrochloride, 4,5-Dimethyl-9-((3-(dimethylamino)propyl)amino)-1-nitroacridine N-oxide dihydrochloride, N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1-nitroacridin-9-yl)hydroxylamine;dihydrochloride, N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1-nitroacridin-9-yl)hydroxylamine dihydrochloride
| Molecular Formula | C20H26Cl2N4O3 |
|---|---|
| Molecular Weight | 440.14 g/mol |
| LogP | 4.90394 |
| Topological Polar Surface Area | 82.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.13818 |
| Heavy Atoms | 29 |
| Complexity | 1027.6906 |
Chemical Identifiers
| CAS Number | 176915-87-0 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=C3C(=CC=C(C3=N2)C)[N+](=O)[O-])N(CCCN(C)C)O.Cl.Cl |
Product Overview
5-prop-2-enoxypentanal (CAS 176915-87-0), with molecular formula C20H26Cl2N4O3 and molecular weight 440.14 g/mol. IUPAC: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1-nitroacridin-9-yl)hydroxylamine;dihydrochloride.
Chemical Property Profile of 5-prop-2-enoxypentanal
Property Insights of 5-prop-2-enoxypentanal
The XLogP value of 4.90394 indicates that 5-prop-2-enoxypentanal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-prop-2-enoxypentanal. Following Lipinski's Rule of Five, 5-prop-2-enoxypentanal has 1 hydrogen bond donor(s) and 6 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 5-prop-2-enoxypentanal?
The CAS number of 5-prop-2-enoxypentanal is 176915-87-0.
What is the molecular formula of 5-prop-2-enoxypentanal?
The molecular formula of 5-prop-2-enoxypentanal is C20H26Cl2N4O3.
What is the molecular weight of 5-prop-2-enoxypentanal?
The molecular weight of 5-prop-2-enoxypentanal is 440.14 g/mol.
Where can I buy 5-prop-2-enoxypentanal?
You can request a quote for 5-prop-2-enoxypentanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-prop-2-enoxypentanal?
Yes, KEHONG BIO provides custom synthesis services for 5-prop-2-enoxypentanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.