ChemDiv1_005069
TL;DR: ChemDiv1_005069 (CAS 361480-34-4) is a chemical compound with molecular formula C19H15BrN2O2S and molecular weight 414.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromofuran-2-yl)-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
Also Known As: ChemDiv1_005069, UPCMLD0ENAT5669809:001, (5-bromofuran-2-yl)-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone, (5-bromofuran-2-yl)(3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)methanone, 1-(5-bromo-2-furoyl)-5-(4-methylphenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
| Molecular Formula | C19H15BrN2O2S |
|---|---|
| Molecular Weight | 414.00 g/mol |
| LogP | 5.40352 |
| Topological Polar Surface Area | 45.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.00375 |
| Heavy Atoms | 25 |
| Complexity | 928.757 |
Chemical Identifiers
| CAS Number | 361480-34-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC=C(O3)Br)C4=CC=CS4 |
Product Overview
ChemDiv1_005069 (CAS 361480-34-4), with molecular formula C19H15BrN2O2S and molecular weight 414.00 g/mol. IUPAC: (5-bromofuran-2-yl)-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone.
Chemical Property Profile of ChemDiv1_005069
Property Insights of ChemDiv1_005069
The XLogP value of 5.40352 indicates that ChemDiv1_005069 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.81 Ų, ChemDiv1_005069 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_005069 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005069?
The CAS number of ChemDiv1_005069 is 361480-34-4.
What is the molecular formula of ChemDiv1_005069?
The molecular formula of ChemDiv1_005069 is C19H15BrN2O2S.
What is the molecular weight of ChemDiv1_005069?
The molecular weight of ChemDiv1_005069 is 414.00 g/mol.
Where can I buy ChemDiv1_005069?
You can request a quote for ChemDiv1_005069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005069?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.