alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol
TL;DR: alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol (CAS 53462-63-8) is a chemical compound with molecular formula C13H20N2O2S and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-N-(2-hydroxy-1-methylsulfanyl-2-phenylethyl)nitrous amide
Also Known As: alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol, Benzenemethanol, alpha-(((1,1-dimethylethyl)nitrosoamino)(methythio)methyl)-, N-tert-butyl-N-(2-hydroxy-1-methylsulfanyl-2-phenylethyl)nitrous amide, N-tert-Butyl-N-[2-hydroxy-1-(methylsulfanyl)-2-phenylethyl]nitrous amide, Benzenemethanol, .alpha.-[[(1,1-dimethylethyl)nitrosoamino](methylthio)methyl]-
| Molecular Formula | C13H20N2O2S |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.12454 |
| Heavy Atoms | 18 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 53462-63-8 |
|---|---|
| SMILES | CC(C)(C)N(C(C(C1=CC=CC=C1)O)SC)N=O |
| InChIKey | QMDIIPDUQNOIGR-UHFFFAOYSA-N |
Product Overview
alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol (CAS 53462-63-8), with molecular formula C13H20N2O2S and molecular weight 268.12 g/mol. IUPAC: N-tert-butyl-N-(2-hydroxy-1-methylsulfanyl-2-phenylethyl)nitrous amide.
Chemical Property Profile of alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol
Property Insights of alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol. Following Lipinski's Rule of Five, alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol has 1 hydrogen bond donor(s) and 5 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 alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol?
The CAS number of alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol is 53462-63-8.
What is the molecular formula of alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol?
The molecular formula of alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol is C13H20N2O2S.
What is the molecular weight of alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol?
The molecular weight of alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol is 268.12 g/mol.
Where can I buy alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol?
You can request a quote for alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for alpha-(((1,1-Dimethylethyl)nitrosoamino)(methythio)methyl)benzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.