ChemDiv1_018647
TL;DR: ChemDiv1_018647 (CAS 423730-35-2) is a chemical compound with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
Also Known As: ChemDiv1_018647, BIM-0009873.P001, A2769/0117345, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetamide
| Molecular Formula | C21H21N5O2S |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 3.10192 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.1416 |
| Heavy Atoms | 29 |
| Complexity | 1253.5514 |
Chemical Identifiers
| CAS Number | 423730-35-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4N3C |
Product Overview
ChemDiv1_018647 (CAS 423730-35-2), with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.
Chemical Property Profile of ChemDiv1_018647
Property Insights of ChemDiv1_018647
The XLogP value of 3.10192 indicates that ChemDiv1_018647 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018647. Following Lipinski's Rule of Five, ChemDiv1_018647 has 1 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 ChemDiv1_018647?
The CAS number of ChemDiv1_018647 is 423730-35-2.
What is the molecular formula of ChemDiv1_018647?
The molecular formula of ChemDiv1_018647 is C21H21N5O2S.
What is the molecular weight of ChemDiv1_018647?
The molecular weight of ChemDiv1_018647 is 407.14 g/mol.
Where can I buy ChemDiv1_018647?
You can request a quote for ChemDiv1_018647 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018647?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018647 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.