1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1)
TL;DR: 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1) (CAS 31007-49-5) is a chemical compound with molecular formula C13H25NO4S2 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl(dithiolan-4-yl)azanium;2-hydroxy-2-oxoacetate
Also Known As: 4-(Dibutylamino)-1,2-dithiolane oxalate, 1,2-DITHIOLAN-4-AMINE, N,N-DIBUTYL-, OXALATE (1:1), dibutyl(dithiolan-4-yl)azanium; 2-hydroxy-2-oxoacetate, N,N-Dibutyl-1,2-dithiolan-4-aminium hydrogen ethanedioate, RefChem:216194
| Molecular Formula | C13H25NO4S2 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 0.06 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.1225 |
| Heavy Atoms | 20 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 31007-49-5 |
|---|---|
| SMILES | CCCC[NH+](CCCC)C1CSSC1.C(=O)(C(=O)[O-])O |
| InChIKey | KZSMLFSZCXOLTG-UHFFFAOYSA-N |
Product Overview
1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1) (CAS 31007-49-5), with molecular formula C13H25NO4S2 and molecular weight 323.12 g/mol. IUPAC: dibutyl(dithiolan-4-yl)azanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1)
Property Insights of 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1)
The XLogP value of 0.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1). The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1). Following Lipinski's Rule of Five, 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1) has 2 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 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1)?
The CAS number of 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1) is 31007-49-5.
What is the molecular formula of 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1)?
The molecular formula of 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1) is C13H25NO4S2.
What is the molecular weight of 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1)?
The molecular weight of 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1) is 323.12 g/mol.
Where can I buy 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1)?
You can request a quote for 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.