MixCom3_000163
TL;DR: MixCom3_000163 (CAS 1029989-13-6) is a chemical compound with molecular formula C19H15ClN4O2S and molecular weight 398.06042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[4-(4-chlorophenyl)-1H-pyrazol-5-yl]amino]-2-(4-methylphenyl)sulfonylprop-2-enenitrile
Also Known As: MixCom3_000163, Bionet1_004915, (Z)-3-{[4-(4-chlorophenyl)-1H-pyrazol-5-yl]amino}-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile, 3-[[4-(4-chlorophenyl)-1H-pyrazol-5-yl]amino]-2-(4-methylphenyl)sulfonylprop-2-enenitrile
Technical Specifications
| Molecular Formula | C19H15ClN4O2S |
| Molecular Weight | 398.06042 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.06042 Da |
| Heavy Atoms | 27 |
| Complexity | 680.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=C(C=NN2)C3=CC=C(C=C3)Cl)C#N |
| InChIKey | NPBWLEANULSKIM-UHFFFAOYSA-N |
Chemical Property Profile of MixCom3_000163
Property Insights of MixCom3_000163
The XLogP value of 4.6 indicates that MixCom3_000163 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 MixCom3_000163. Following Lipinski's Rule of Five, MixCom3_000163 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of MixCom3_000163?
The CAS number of MixCom3_000163 is 1029989-13-6.
What is the molecular formula of MixCom3_000163?
The molecular formula of MixCom3_000163 is C19H15ClN4O2S.
What is the molecular weight of MixCom3_000163?
The molecular weight of MixCom3_000163 is 398.06042 g/mol.
Where can I buy MixCom3_000163?
You can request a quote for MixCom3_000163 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for MixCom3_000163?
Yes, CoreyChem provides custom synthesis services for MixCom3_000163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.