2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol
TL;DR: 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol (CAS 53527-68-7) is a chemical compound with molecular formula C12H22N2O2S and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-N-[(2-hydroxycyclohexen-1-yl)-methylsulfanylmethyl]nitrous amide
Also Known As: 1-cyclohexen-1-ol,2-(( -, 1-Cyclohexen-1-ol,2-(( -, 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol, 1,4-BENZODIOXAN, 2-MORPHOLINOMETHYL-, HYDROCHLORIDE, 1-Cyclohexen-1-ol, 2-(((1,1-dimethylethyl)nitrosoamino)(methylthio)methyl)-
| Molecular Formula | C12H22N2O2S |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.1402 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 53527-68-7 |
|---|---|
| SMILES | CC(C)(C)N(C(C1=C(CCCC1)O)SC)N=O |
| InChIKey | HHXBNVNYCCYDMD-UHFFFAOYSA-N |
Product Overview
2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol (CAS 53527-68-7), with molecular formula C12H22N2O2S and molecular weight 258.14 g/mol. IUPAC: N-tert-butyl-N-[(2-hydroxycyclohexen-1-yl)-methylsulfanylmethyl]nitrous amide.
Chemical Property Profile of 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol
Property Insights of 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol. Following Lipinski's Rule of Five, 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol 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 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol?
The CAS number of 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol is 53527-68-7.
What is the molecular formula of 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol?
The molecular formula of 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol is C12H22N2O2S.
What is the molecular weight of 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol?
The molecular weight of 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol is 258.14 g/mol.
Where can I buy 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol?
You can request a quote for 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(((1,1-Dimethylethyl)nitrosoamino)(methylthio)methyl)-1-cyclohexen-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.