![Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1) structure](/static/products/8515/85154-08-1.webp)
Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1)
TL;DR: Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1) (CAS 85154-08-1) is a chemical compound with molecular formula C23H30ClN3O5S and molecular weight 495.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylpropan-2-amine;2-hydroxypropanoic acid
Also Known As: Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1), Propanoic acid, 2-hydroxy-, compd. with 1-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)-N,N-dimethyl-2-propanamine (1:1), 1-[4-[3-(4-chlorophenyl)-4,5-dihydropyrazol-1-yl]phenyl]sulfonyl-N,N-dimethyl-propan-2-amine; 2-hydroxypropanoic acid, 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylpropan-2-amine; 2-hydroxypropanoic acid, 2-Hydroxypropanoic acid--1-{4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonyl}-N,N-dimethylpropan-2-amine (1/1)
| Molecular Formula | C23H30ClN3O5S |
|---|---|
| Molecular Weight | 495.16 g/mol |
| LogP | 3.13 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.1595 |
| Heavy Atoms | 33 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 85154-08-1 |
|---|---|
| SMILES | CC(CS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl)N(C)C.CC(C(=O)O)O |
| InChIKey | TVBOOZZXKDXSHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1) (CAS 85154-08-1), with molecular formula C23H30ClN3O5S and molecular weight 495.16 g/mol. IUPAC: 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylpropan-2-amine;2-hydroxypropanoic acid.
Chemical Property Profile of Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1)
Property Insights of Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1)
The XLogP value of 3.13 indicates that Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1). Following Lipinski's Rule of Five, Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1) has 2 hydrogen bond donor(s) and 8 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 Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1)?
The CAS number of Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1) is 85154-08-1.
What is the molecular formula of Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1)?
The molecular formula of Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1) is C23H30ClN3O5S.
What is the molecular weight of Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1)?
The molecular weight of Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1) is 495.16 g/mol.
Where can I buy Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1)?
You can request a quote for Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-hydroxy-, compd. with 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-N,N-dimethyl-2-propanamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.