![2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane structure](/static/products/1005/1005096-46-7.webp)
2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane
TL;DR: 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane (CAS 1005096-46-7) is a chemical compound with molecular formula C25H31ClN2O5S and molecular weight 506.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-chloro-6-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxy]phenyl]methyl]-3-(4-methylphenyl)sulfonylurea
Also Known As: 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane, 1-[[2-chloro-6-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxy]phenyl]methyl]-3-(4-methylphenyl)sulfonylurea, 3-[(2-chloro-6-{[1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl]oxy}phenyl)methyl]-1-(4-methylbenzenesulfonyl)urea, Benzenesulfonamide, N-[[[[2-chloro-6-[[1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]hept-2-yl]oxy]phenyl]methyl]amino]carbonyl]-4-methyl-, 3-{[2-chloro-6-({4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl}oxy)phenyl]methyl}-1-(4-methylbenzenesulfonyl)urea
| Molecular Formula | C25H31ClN2O5S |
|---|---|
| Molecular Weight | 506.16 g/mol |
| LogP | 4.95152 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.1642 |
| Heavy Atoms | 34 |
| Complexity | 1184.2922 |
Chemical Identifiers
| CAS Number | 1005096-46-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2=C(C=CC=C2Cl)OC3CC4(CCC3(O4)C)C(C)C |
Product Overview
2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane (CAS 1005096-46-7), with molecular formula C25H31ClN2O5S and molecular weight 506.16 g/mol. IUPAC: 1-[[2-chloro-6-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxy]phenyl]methyl]-3-(4-methylphenyl)sulfonylurea.
Chemical Property Profile of 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane
Property Insights of 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane
The XLogP value of 4.95152 indicates that 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane. Following Lipinski's Rule of Five, 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane?
The CAS number of 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane is 1005096-46-7.
What is the molecular formula of 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane?
The molecular formula of 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane is C25H31ClN2O5S.
What is the molecular weight of 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane?
The molecular weight of 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane is 506.16 g/mol.
Where can I buy 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane?
You can request a quote for 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-chloro-2-{[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]methyl}phenoxy)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.