3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone
TL;DR: 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone (CAS 956569-47-4) is a chemical compound with molecular formula C16H18ClN3O3S and molecular weight 367.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
Also Known As: VU0507429-1, 3,5-dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone, F3010-0032, (4-chloro-3-(pyrrolidin-1-ylsulfonyl)phenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone, (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
| Molecular Formula | C16H18ClN3O3S |
|---|---|
| Molecular Weight | 367.08 g/mol |
| LogP | 2.62634 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.07574 |
| Heavy Atoms | 24 |
| Complexity | 899.2866 |
Chemical Identifiers
| CAS Number | 956569-47-4 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C |
Product Overview
3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone (CAS 956569-47-4), with molecular formula C16H18ClN3O3S and molecular weight 367.08 g/mol. IUPAC: (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone.
Chemical Property Profile of 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone
Property Insights of 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone
The XLogP value of 2.62634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone. Following Lipinski's Rule of Five, 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone 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
Frequently Asked Questions
What is the CAS number of 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone?
The CAS number of 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone is 956569-47-4.
What is the molecular formula of 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone?
The molecular formula of 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone is C16H18ClN3O3S.
What is the molecular weight of 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone?
The molecular weight of 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone is 367.08 g/mol.
Where can I buy 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone?
You can request a quote for 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylpyrazolyl 4-chloro-3-(pyrrolidinylsulfonyl)phenyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.