ChemDiv3_004334
TL;DR: ChemDiv3_004334 (CAS 384367-85-5) is a chemical compound with molecular formula C18H20BrN3O2S and molecular weight 421.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
Also Known As: ChemDiv3_004334, IDI1_022244, 4-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-N,N-dimethylaniline, 4-[3-(4-bromophenyl)-1-methanesulfonyl-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylaniline, BRD-A19058302-001-01-7
| Molecular Formula | C18H20BrN3O2S |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 3.6258 |
| Topological Polar Surface Area | 52.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.04596 |
| Heavy Atoms | 25 |
| Complexity | 890.92334 |
Chemical Identifiers
| CAS Number | 384367-85-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2CC(=NN2S(=O)(=O)C)C3=CC=C(C=C3)Br |
Product Overview
ChemDiv3_004334 (CAS 384367-85-5), with molecular formula C18H20BrN3O2S and molecular weight 421.05 g/mol. IUPAC: 4-[5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline.
Chemical Property Profile of ChemDiv3_004334
Property Insights of ChemDiv3_004334
The XLogP value of 3.6258 indicates that ChemDiv3_004334 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.98 Ų, ChemDiv3_004334 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004334 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 ChemDiv3_004334?
The CAS number of ChemDiv3_004334 is 384367-85-5.
What is the molecular formula of ChemDiv3_004334?
The molecular formula of ChemDiv3_004334 is C18H20BrN3O2S.
What is the molecular weight of ChemDiv3_004334?
The molecular weight of ChemDiv3_004334 is 421.05 g/mol.
Where can I buy ChemDiv3_004334?
You can request a quote for ChemDiv3_004334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004334?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.