RefChem:141230
TL;DR: RefChem:141230 (CAS 68400-01-1) 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.
2-[2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethoxy]-N,N-dimethylpropan-1-amine;formic acid
Also Known As: Formic acid, compd. with 2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethoxy]-N,N-dimethyl-1-propanamine (1:1), Formic acid, compd. with 2-(2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)ethoxy)-N,N-dimethyl-1-propanamine (1:1), 2-[2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethoxy]-N,N-dimethylpropan-1-amine; formic acid, FORMIC ACID COMPD. WITH 2-[2-[[4-[3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]PHENYL]SULFONYL]ETHOXY]-N,N-DIMETHYL-1-PROPANAMINE (1:1), Formic acid, compd. with 2-[2-[[4-[3-(4-chlorophenyl) -4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethoxy ]-N,N-dimethyl-1-propanamine (1:1)
| Molecular Formula | C23H30ClN3O5S |
|---|---|
| Molecular Weight | 495.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.1595 |
| Heavy Atoms | 33 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 68400-01-1 |
|---|---|
| SMILES | CC(CN(C)C)OCCS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl.C(=O)O |
| InChIKey | HQUNJTQGOYQYMO-UHFFFAOYSA-N |
Product Overview
RefChem:141230 (CAS 68400-01-1), with molecular formula C23H30ClN3O5S and molecular weight 495.16 g/mol. IUPAC: 2-[2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethoxy]-N,N-dimethylpropan-1-amine;formic acid.
Chemical Property Profile of RefChem:141230
Property Insights of RefChem:141230
The XLogP value of 3.4 indicates that RefChem:141230 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:141230. Following Lipinski's Rule of Five, RefChem:141230 has 1 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 RefChem:141230?
The CAS number of RefChem:141230 is 68400-01-1.
What is the molecular formula of RefChem:141230?
The molecular formula of RefChem:141230 is C23H30ClN3O5S.
What is the molecular weight of RefChem:141230?
The molecular weight of RefChem:141230 is 495.16 g/mol.
Where can I buy RefChem:141230?
You can request a quote for RefChem:141230 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:141230?
Yes, KEHONG BIO provides custom synthesis services for RefChem:141230 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.