![N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine structure](/static/products/7745/774552-25-9.webp)
N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine
TL;DR: N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine (CAS 774552-25-9) is a chemical compound with molecular formula C12H20N2S and molecular weight 224.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine
Also Known As: AN-465/42886755, N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine, N-methyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine, N-methyl-N-(3-{[4-(methylsulfanyl)benzyl]amino}propyl)amine, N~1~-methyl-N~3~-[4-(methylthio)benzyl]propane-1,3-diamine
| Molecular Formula | C12H20N2S |
|---|---|
| Molecular Weight | 224.13 g/mol |
| LogP | 2.1076 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 224.13472 |
| Heavy Atoms | 15 |
| Complexity | 258.82956 |
Chemical Identifiers
| CAS Number | 774552-25-9 |
|---|---|
| SMILES | CNCCCNCC1=CC=C(C=C1)SC |
Product Overview
N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine (CAS 774552-25-9), with molecular formula C12H20N2S and molecular weight 224.13 g/mol. IUPAC: N-methyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine.
Chemical Property Profile of N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine
Property Insights of N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine
The XLogP value of 2.1076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine. With a topological polar surface area (TPSA) of 24.06 Ų, N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine has 2 hydrogen bond donor(s) and 3 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 N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine?
The CAS number of N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine is 774552-25-9.
What is the molecular formula of N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine?
The molecular formula of N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine is C12H20N2S.
What is the molecular weight of N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine?
The molecular weight of N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine is 224.13 g/mol.
Where can I buy N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine?
You can request a quote for N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.