BAS 00015446
TL;DR: BAS 00015446 (CAS 84104-36-9) is a chemical compound with molecular formula C14H14Cl3N3O2 and molecular weight 361.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]propanamide
Also Known As: BAS 00015446, BRD-K95031994-001-07-9, 2,2-dimethyl-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]propanamide, 2,2-dimethyl-N-[5-oxo-1-(2,4,6-trichlorophenyl)(2-pyrazolin-3-yl)]propanamide, 2,2-dimethyl-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]propanamide
| Molecular Formula | C14H14Cl3N3O2 |
|---|---|
| Molecular Weight | 361.02 g/mol |
| LogP | 3.8593 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 361.01517 |
| Heavy Atoms | 22 |
| Complexity | 657.396 |
Chemical Identifiers
| CAS Number | 84104-36-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=NN(C(=O)C1)C2=C(C=C(C=C2Cl)Cl)Cl |
Product Overview
BAS 00015446 (CAS 84104-36-9), with molecular formula C14H14Cl3N3O2 and molecular weight 361.02 g/mol. IUPAC: 2,2-dimethyl-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]propanamide.
Chemical Property Profile of BAS 00015446
Property Insights of BAS 00015446
The XLogP value of 3.8593 indicates that BAS 00015446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00015446. Following Lipinski's Rule of Five, BAS 00015446 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 BAS 00015446?
The CAS number of BAS 00015446 is 84104-36-9.
What is the molecular formula of BAS 00015446?
The molecular formula of BAS 00015446 is C14H14Cl3N3O2.
What is the molecular weight of BAS 00015446?
The molecular weight of BAS 00015446 is 361.02 g/mol.
Where can I buy BAS 00015446?
You can request a quote for BAS 00015446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00015446?
Yes, KEHONG BIO provides custom synthesis services for BAS 00015446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.