ChemDiv1_009427
TL;DR: ChemDiv1_009427 (CAS 79420-27-2) is a chemical compound with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
Also Known As: ChemDiv1_009427, BAS 09539085, 2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide, 2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide, 2-(1H-1,3-BENZIMIDAZOL-2-YLSULFANYL)-N~1~-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)ACETAMIDE
| Molecular Formula | C20H19N5O2S |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 3.09152 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.12595 |
| Heavy Atoms | 28 |
| Complexity | 1173.5422 |
Chemical Identifiers
| CAS Number | 79420-27-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4N3 |
Product Overview
ChemDiv1_009427 (CAS 79420-27-2), with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
Chemical Property Profile of ChemDiv1_009427
Property Insights of ChemDiv1_009427
The XLogP value of 3.09152 indicates that ChemDiv1_009427 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009427. Following Lipinski's Rule of Five, ChemDiv1_009427 has 2 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_009427?
The CAS number of ChemDiv1_009427 is 79420-27-2.
What is the molecular formula of ChemDiv1_009427?
The molecular formula of ChemDiv1_009427 is C20H19N5O2S.
What is the molecular weight of ChemDiv1_009427?
The molecular weight of ChemDiv1_009427 is 393.13 g/mol.
Where can I buy ChemDiv1_009427?
You can request a quote for ChemDiv1_009427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009427?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.