BAS 03386104
TL;DR: BAS 03386104 (CAS 364625-80-9) is a chemical compound with molecular formula C9H13F3N2O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
Also Known As: BAS 03386104, ethyl 3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate, ethyl 3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate, 3-Ethyl-5-hydroxy-5-trifluoromethyl-4,5-dihydro-pyrazole-1-carboxylic acid ethyl ester
| Molecular Formula | C9H13F3N2O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 1.8655 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.08783 |
| Heavy Atoms | 17 |
| Complexity | 342.868 |
Chemical Identifiers
| CAS Number | 364625-80-9 |
|---|---|
| SMILES | CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)OCC |
Product Overview
BAS 03386104 (CAS 364625-80-9), with molecular formula C9H13F3N2O3 and molecular weight 254.09 g/mol. IUPAC: ethyl 3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate.
Chemical Property Profile of BAS 03386104
Property Insights of BAS 03386104
The XLogP value of 1.8655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03386104. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03386104. Following Lipinski's Rule of Five, BAS 03386104 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 BAS 03386104?
The CAS number of BAS 03386104 is 364625-80-9.
What is the molecular formula of BAS 03386104?
The molecular formula of BAS 03386104 is C9H13F3N2O3.
What is the molecular weight of BAS 03386104?
The molecular weight of BAS 03386104 is 254.09 g/mol.
Where can I buy BAS 03386104?
You can request a quote for BAS 03386104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03386104?
Yes, KEHONG BIO provides custom synthesis services for BAS 03386104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.