9H-513S
TL;DR: 9H-513S (CAS 1164515-74-5) is a chemical compound with molecular formula C17H14Cl3NO3S and molecular weight 416.976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-(4-chlorophenyl)sulfonyl-1-(2,4-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one
Also Known As: 9H-513S, 2-[(4-chlorophenyl)sulfonyl]-1-(2,4-dichlorophenyl)-3-(dimethylamino)-2-propen-1-one, (2Z)-2-(4-chlorobenzenesulfonyl)-1-(2,4-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one, (Z)-2-(4-chlorophenyl)sulfonyl-1-(2,4-dichlorophenyl)-3-(dimethylamino)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C17H14Cl3NO3S |
| Molecular Weight | 416.976 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.976 Da |
| Heavy Atoms | 25 |
| Complexity | 607.0 |
| SMILES | CN(C)/C=C(/C(=O)C1=C(C=C(C=C1)Cl)Cl)\S(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | LLDCBHDXKHLXJF-YBEGLDIGSA-N |
Chemical Property Profile of 9H-513S
Property Insights of 9H-513S
The XLogP value of 4.9 indicates that 9H-513S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-513S. Following Lipinski's Rule of Five, 9H-513S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 9H-513S?
The CAS number of 9H-513S is 1164515-74-5.
What is the molecular formula of 9H-513S?
The molecular formula of 9H-513S is C17H14Cl3NO3S.
What is the molecular weight of 9H-513S?
The molecular weight of 9H-513S is 416.976 g/mol.
Where can I buy 9H-513S?
You can request a quote for 9H-513S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9H-513S?
Yes, CoreyChem provides custom synthesis services for 9H-513S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.