1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate
TL;DR: 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate (CAS 99507-50-3) is a chemical compound with molecular formula C21H27NO4S and molecular weight 389.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3-phenyl-3-phenylsulfanylpropan-1-amine;oxalic acid
Also Known As: N,N-Diethyl-3-phenyl-3-(phenylthio)-1-propylamine oxalate, 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate, Benzenepropanamine, N,N-diethyl-gamma-(phenylthio)-, ethanedioate (1:1), N,N-diethyl-3-phenyl-3-phenylsulfanylpropan-1-amine; oxalic acid, Oxalic acid--N,N-diethyl-3-phenyl-3-(phenylsulfanyl)propan-1-amine (1/1)
| Molecular Formula | C21H27NO4S |
|---|---|
| Molecular Weight | 389.17 g/mol |
| LogP | 4.4075 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.16608 |
| Heavy Atoms | 27 |
| Complexity | 663.09564 |
Chemical Identifiers
| CAS Number | 99507-50-3 |
|---|---|
| SMILES | CCN(CC)CCC(C1=CC=CC=C1)SC2=CC=CC=C2.C(=O)(C(=O)O)O |
Product Overview
1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate (CAS 99507-50-3), with molecular formula C21H27NO4S and molecular weight 389.17 g/mol. IUPAC: N,N-diethyl-3-phenyl-3-phenylsulfanylpropan-1-amine;oxalic acid.
Chemical Property Profile of 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate
Property Insights of 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate
The XLogP value of 4.4075 indicates that 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate. Following Lipinski's Rule of Five, 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate has 2 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 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate?
The CAS number of 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate is 99507-50-3.
What is the molecular formula of 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate?
The molecular formula of 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate is C21H27NO4S.
What is the molecular weight of 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate?
The molecular weight of 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate is 389.17 g/mol.
Where can I buy 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate?
You can request a quote for 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1-Propylamine, N,N-diethyl-3-phenyl-3-(phenylthio)-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.