1-Butenylmethylsulfide
TL;DR: 1-Butenylmethylsulfide (CAS 54864-93-6) is a chemical compound with molecular formula C26H28N4O4 and molecular weight 460.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)-1-[4-[(1-methoxy-6-nitroacridin-9-yl)amino]phenyl]ethanol
Also Known As: 1-Butenylmethylsulfide, alpha-( -p-( benzylalcohol, 5-22-12-00222 (Beilstein Handbook Reference), alpha-((Diethylamino)methyl)-p-((1-methoxy-6-nitro-9-acridinyl)amino)benzyl alcohol, Benzyl alcohol, alpha-((diethylamino)methyl)-p-((1-methoxy-6-nitro-9-acridinyl)amino)-
| Molecular Formula | C26H28N4O4 |
|---|---|
| Molecular Weight | 460.21 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.21106 |
| Heavy Atoms | 34 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 54864-93-6 |
|---|---|
| SMILES | CCN(CC)CC(C1=CC=C(C=C1)NC2=C3C(=NC4=C2C=CC(=C4)[N+](=O)[O-])C=CC=C3OC)O |
| InChIKey | FYXJUPOZPYRULI-UHFFFAOYSA-N |
Product Overview
1-Butenylmethylsulfide (CAS 54864-93-6), with molecular formula C26H28N4O4 and molecular weight 460.21 g/mol. IUPAC: 2-(diethylamino)-1-[4-[(1-methoxy-6-nitroacridin-9-yl)amino]phenyl]ethanol.
Chemical Property Profile of 1-Butenylmethylsulfide
Property Insights of 1-Butenylmethylsulfide
The XLogP value of 4.8 indicates that 1-Butenylmethylsulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butenylmethylsulfide. Following Lipinski's Rule of Five, 1-Butenylmethylsulfide has 2 hydrogen bond donor(s) and 7 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 1-Butenylmethylsulfide?
The CAS number of 1-Butenylmethylsulfide is 54864-93-6.
What is the molecular formula of 1-Butenylmethylsulfide?
The molecular formula of 1-Butenylmethylsulfide is C26H28N4O4.
What is the molecular weight of 1-Butenylmethylsulfide?
The molecular weight of 1-Butenylmethylsulfide is 460.21 g/mol.
Where can I buy 1-Butenylmethylsulfide?
You can request a quote for 1-Butenylmethylsulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butenylmethylsulfide?
Yes, KEHONG BIO provides custom synthesis services for 1-Butenylmethylsulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.