Opera_ID_1949
TL;DR: Opera_ID_1949 (CAS 1396965-55-1) is a chemical compound with molecular formula C22H22ClNO6S and molecular weight 463.08563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-chloro-4-methyl-2-oxochromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
Also Known As: (6-chloro-4-methyl-2-oxochromen-7-yl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate, 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate, 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]valinate, 3-Methyl-2-(toluene-4-sulfonylamino)-butyric acid 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl ester, 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 3-methyl-2-{[(4-methylphenyl)sulfonyl]amino}butanoate
Technical Specifications
| Molecular Formula | C22H22ClNO6S |
| Molecular Weight | 463.08563 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.08563 Da |
| Heavy Atoms | 31 |
| Complexity | 812.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C)Cl |
| InChIKey | VEBAWLNIFOXVDG-UHFFFAOYSA-N |
Chemical Property Profile of Opera_ID_1949
Property Insights of Opera_ID_1949
The XLogP value of 4.6 indicates that Opera_ID_1949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_1949. Following Lipinski's Rule of Five, Opera_ID_1949 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Opera_ID_1949?
The CAS number of Opera_ID_1949 is 1396965-55-1.
What is the molecular formula of Opera_ID_1949?
The molecular formula of Opera_ID_1949 is C22H22ClNO6S.
What is the molecular weight of Opera_ID_1949?
The molecular weight of Opera_ID_1949 is 463.08563 g/mol.
Where can I buy Opera_ID_1949?
You can request a quote for Opera_ID_1949 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Opera_ID_1949?
Yes, CoreyChem provides custom synthesis services for Opera_ID_1949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.