ChemDiv3_000164
TL;DR: ChemDiv3_000164 (CAS 304446-41-1) is a chemical compound with molecular formula C24H19BrN4O and molecular weight 458.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
Also Known As: ChemDiv3_000164, IDI1_019482, BAS 00163820, AB00666808-01, BRD-A72550432-001-01-0
| Molecular Formula | C24H19BrN4O |
|---|---|
| Molecular Weight | 458.07 g/mol |
| LogP | 5.62532 |
| Topological Polar Surface Area | 61.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.07422 |
| Heavy Atoms | 30 |
| Complexity | 1242.8704 |
Chemical Identifiers
| CAS Number | 304446-41-1 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=NC5=CC=CC=C5N4 |
Product Overview
ChemDiv3_000164 (CAS 304446-41-1), with molecular formula C24H19BrN4O and molecular weight 458.07 g/mol. IUPAC: [3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone.
Chemical Property Profile of ChemDiv3_000164
Property Insights of ChemDiv3_000164
The XLogP value of 5.62532 indicates that ChemDiv3_000164 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_000164. Following Lipinski's Rule of Five, ChemDiv3_000164 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_000164?
The CAS number of ChemDiv3_000164 is 304446-41-1.
What is the molecular formula of ChemDiv3_000164?
The molecular formula of ChemDiv3_000164 is C24H19BrN4O.
What is the molecular weight of ChemDiv3_000164?
The molecular weight of ChemDiv3_000164 is 458.07 g/mol.
Where can I buy ChemDiv3_000164?
You can request a quote for ChemDiv3_000164 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_000164?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_000164 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.