isocarvomenthone
TL;DR: isocarvomenthone (CAS 7065-48-7) is a chemical compound with molecular formula C22H17ClN2O3S2 and molecular weight 456.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-1,3-oxazole
Also Known As: isocarvomenthone, 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-1,3-oxazole, 2-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]-3,4-dihydro-1H-isoquinoline, 2-[4-(4-Chlorobenzene-1-sulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C22H17ClN2O3S2 |
|---|---|
| Molecular Weight | 456.04 g/mol |
| LogP | 5.452 |
| Topological Polar Surface Area | 63.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.03693 |
| Heavy Atoms | 30 |
| Complexity | 1296.6733 |
Chemical Identifiers
| CAS Number | 7065-48-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C3=C(N=C(O3)C4=CC=CS4)S(=O)(=O)C5=CC=C(C=C5)Cl |
Product Overview
isocarvomenthone (CAS 7065-48-7), with molecular formula C22H17ClN2O3S2 and molecular weight 456.04 g/mol. IUPAC: 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-1,3-oxazole.
Chemical Property Profile of isocarvomenthone
Property Insights of isocarvomenthone
The XLogP value of 5.452 indicates that isocarvomenthone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.41 Ų falls within the moderate polarity range, balancing permeability and solubility for isocarvomenthone. Following Lipinski's Rule of Five, isocarvomenthone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isocarvomenthone?
The CAS number of isocarvomenthone is 7065-48-7.
What is the molecular formula of isocarvomenthone?
The molecular formula of isocarvomenthone is C22H17ClN2O3S2.
What is the molecular weight of isocarvomenthone?
The molecular weight of isocarvomenthone is 456.04 g/mol.
Where can I buy isocarvomenthone?
You can request a quote for isocarvomenthone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isocarvomenthone?
Yes, KEHONG BIO provides custom synthesis services for isocarvomenthone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.