![2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol structure](/static/products/7745/774556-33-1.webp)
2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol
TL;DR: 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol (CAS 774556-33-1) is a chemical compound with molecular formula C12H19NOS and molecular weight 225.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
Also Known As: 2-{[4-(methylsulfanyl)benzyl]amino}-1-butanol, 2-[(4-methylsulfanylphenyl)methylamino]butan-1-ol, 2-{[4-(methylthio)benzyl]amino}butan-1-ol, AN-465/42886761, 2-{[4-(methylsulfanyl)benzyl]amino}butan-1-ol
| Molecular Formula | C12H19NOS |
|---|---|
| Molecular Weight | 225.12 g/mol |
| LogP | 2.269 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 225.11873 |
| Heavy Atoms | 15 |
| Complexity | 269.45554 |
Chemical Identifiers
| CAS Number | 774556-33-1 |
|---|---|
| SMILES | CCC(CO)NCC1=CC=C(C=C1)SC |
Product Overview
2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol (CAS 774556-33-1), with molecular formula C12H19NOS and molecular weight 225.12 g/mol. IUPAC: 2-[(4-methylsulfanylphenyl)methylamino]butan-1-ol.
Chemical Property Profile of 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol
Property Insights of 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol
The XLogP value of 2.269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol. With a topological polar surface area (TPSA) of 32.26 Ų, 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol 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 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol?
The CAS number of 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol is 774556-33-1.
What is the molecular formula of 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol?
The molecular formula of 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol is C12H19NOS.
What is the molecular weight of 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol?
The molecular weight of 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol is 225.12 g/mol.
Where can I buy 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol?
You can request a quote for 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(Methylsulfanyl)benzyl]amino}-1-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.