AP-845/42065436
TL;DR: AP-845/42065436 (CAS 489423-67-8) is a chemical compound with molecular formula C18H20ClN3O2S and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-chlorophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
Also Known As: AP-845/42065436, 4-[5-(4-chlorophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline, 4-(3-(4-chlorophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-N,N-dimethylaniline, 4-[3-(4-chlorophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylaniline, N-{4-[3-(4-chlorophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl}-N,N-dimethylamine
| Molecular Formula | C18H20ClN3O2S |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | 3.5167 |
| Topological Polar Surface Area | 52.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.09647 |
| Heavy Atoms | 25 |
| Complexity | 890.92334 |
Chemical Identifiers
| CAS Number | 489423-67-8 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2CC(=NN2S(=O)(=O)C)C3=CC=C(C=C3)Cl |
Product Overview
AP-845/42065436 (CAS 489423-67-8), with molecular formula C18H20ClN3O2S and molecular weight 377.10 g/mol. IUPAC: 4-[5-(4-chlorophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline.
Chemical Property Profile of AP-845/42065436
Property Insights of AP-845/42065436
The XLogP value of 3.5167 indicates that AP-845/42065436 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.98 Ų, AP-845/42065436 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AP-845/42065436 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 AP-845/42065436?
The CAS number of AP-845/42065436 is 489423-67-8.
What is the molecular formula of AP-845/42065436?
The molecular formula of AP-845/42065436 is C18H20ClN3O2S.
What is the molecular weight of AP-845/42065436?
The molecular weight of AP-845/42065436 is 377.10 g/mol.
Where can I buy AP-845/42065436?
You can request a quote for AP-845/42065436 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-845/42065436?
Yes, KEHONG BIO provides custom synthesis services for AP-845/42065436 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.