ChemDiv3_006334
TL;DR: ChemDiv3_006334 (CAS 694487-63-3) is a chemical compound with molecular formula C21H23N3O2S and molecular weight 381.15 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)-3-(4-methylphenyl)sulfanylpropanamide
Also Known As: ChemDiv3_006334, IDI1_024244, BRD-K31714406-001-01-2, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropanamide, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-[(4-methylphenyl)sulfanyl]propanamide
| Molecular Formula | C21H23N3O2S |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 3.91374 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.1511 |
| Heavy Atoms | 27 |
| Complexity | 988.76135 |
Chemical Identifiers
| CAS Number | 694487-63-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C |
Product Overview
ChemDiv3_006334 (CAS 694487-63-3), with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropanamide.
Chemical Property Profile of ChemDiv3_006334
Property Insights of ChemDiv3_006334
The XLogP value of 3.91374 indicates that ChemDiv3_006334 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.03 Ų, ChemDiv3_006334 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_006334 has 1 hydrogen bond donor(s) and 3 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_006334?
The CAS number of ChemDiv3_006334 is 694487-63-3.
What is the molecular formula of ChemDiv3_006334?
The molecular formula of ChemDiv3_006334 is C21H23N3O2S.
What is the molecular weight of ChemDiv3_006334?
The molecular weight of ChemDiv3_006334 is 381.15 g/mol.
Where can I buy ChemDiv3_006334?
You can request a quote for ChemDiv3_006334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006334?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.