![4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate structure](/static/products/1005/1005096-41-2.webp)
4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate
TL;DR: 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate (CAS 1005096-41-2) is a chemical compound with molecular formula C26H30N2O5S and molecular weight 482.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl) N-[(4-cyanophenyl)methyl]-N-(4-methylphenyl)sulfonylcarbamate
Also Known As: 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate, (1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl) N-[(4-cyanophenyl)methyl]-N-(4-methylphenyl)sulfonylcarbamate, 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl N-[(4-cyanophenyl)methyl]-N-(4-methylbenzenesulfonyl)carbamate, Carbamic acid, N-[(4-cyanophenyl)methyl]-N-[(4-methylphenyl)sulfonyl]-, 1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]hept-2-yl ester, 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-ylN-[(4-cyanophenyl)methyl]-N-(4-methylbenzenesulfonyl)carbamate
| Molecular Formula | C26H30N2O5S |
|---|---|
| Molecular Weight | 482.19 g/mol |
| LogP | 4.9304 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.18753 |
| Heavy Atoms | 34 |
| Complexity | 1217.3324 |
Chemical Identifiers
| CAS Number | 1005096-41-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C#N)C(=O)OC3CC4(CCC3(O4)C)C(C)C |
Product Overview
4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate (CAS 1005096-41-2), with molecular formula C26H30N2O5S and molecular weight 482.19 g/mol. IUPAC: (1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl) N-[(4-cyanophenyl)methyl]-N-(4-methylphenyl)sulfonylcarbamate.
Chemical Property Profile of 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate
Property Insights of 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate
The XLogP value of 4.9304 indicates that 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate. Following Lipinski's Rule of Five, 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate has 0 hydrogen bond donor(s) and 6 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-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate?
The CAS number of 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate is 1005096-41-2.
What is the molecular formula of 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate?
The molecular formula of 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate is C26H30N2O5S.
What is the molecular weight of 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate?
The molecular weight of 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate is 482.19 g/mol.
Where can I buy 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate?
You can request a quote for 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl N-(4-cyanobenzyl)-N-[(4-methylphenyl)sulfonyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.