BAS 00247447
TL;DR: BAS 00247447 (CAS 324759-93-5) is a chemical compound with molecular formula C16H18Cl3N5O2S and molecular weight 449.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]acetamide
Also Known As: BAS 00247447, N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]acetamide, N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)acetamide, N-[2,2,2-trichloro-1-({[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbothioyl}amino)ethyl]acetamide, N-(2,2,2-trichloro-1-(3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thioureido)ethyl)acetamide
| Molecular Formula | C16H18Cl3N5O2S |
|---|---|
| Molecular Weight | 449.02 g/mol |
| LogP | 2.60322 |
| Topological Polar Surface Area | 80.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.0247 |
| Heavy Atoms | 27 |
| Complexity | 905.2601 |
Chemical Identifiers
| CAS Number | 324759-93-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C |
Product Overview
BAS 00247447 (CAS 324759-93-5), with molecular formula C16H18Cl3N5O2S and molecular weight 449.02 g/mol. IUPAC: N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]acetamide.
Chemical Property Profile of BAS 00247447
Property Insights of BAS 00247447
The XLogP value of 2.60322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00247447. The TPSA of 80.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00247447. Following Lipinski's Rule of Five, BAS 00247447 has 3 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 00247447?
The CAS number of BAS 00247447 is 324759-93-5.
What is the molecular formula of BAS 00247447?
The molecular formula of BAS 00247447 is C16H18Cl3N5O2S.
What is the molecular weight of BAS 00247447?
The molecular weight of BAS 00247447 is 449.02 g/mol.
Where can I buy BAS 00247447?
You can request a quote for BAS 00247447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00247447?
Yes, KEHONG BIO provides custom synthesis services for BAS 00247447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.