(4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine
TL;DR: (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine (CAS 797030-68-3) is a chemical compound with molecular formula C13H19NOS and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylsulfanylphenyl)methyl]-1-(oxolan-2-yl)methanamine
Also Known As: BAS 07571683, (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine, N-(4-(Methylthio)benzyl)-1-(tetrahydrofuran-2-yl)methanamine, AN-465/42886566, N-[(4-methylsulfanylphenyl)methyl]-1-(oxolan-2-yl)methanamine
| Molecular Formula | C13H19NOS |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 2.6771 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.11873 |
| Heavy Atoms | 16 |
| Complexity | 306.21356 |
Chemical Identifiers
| CAS Number | 797030-68-3 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)CNCC2CCCO2 |
Product Overview
(4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine (CAS 797030-68-3), with molecular formula C13H19NOS and molecular weight 237.12 g/mol. IUPAC: N-[(4-methylsulfanylphenyl)methyl]-1-(oxolan-2-yl)methanamine.
Chemical Property Profile of (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine
Property Insights of (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine
The XLogP value of 2.6771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine. With a topological polar surface area (TPSA) of 21.26 Ų, (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine has 1 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 (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine?
The CAS number of (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine is 797030-68-3.
What is the molecular formula of (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine?
The molecular formula of (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine is C13H19NOS.
What is the molecular weight of (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine?
The molecular weight of (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine is 237.12 g/mol.
Where can I buy (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine?
You can request a quote for (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for (4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.