BAS 00630737
TL;DR: BAS 00630737 (CAS 6077-14-1) is a chemical compound with molecular formula C17H15F6N3O3 and molecular weight 423.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1,1,1-trifluoro-4-[4-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carbonyl]anilino]pent-3-en-2-one
Also Known As: BAS 00630737, BIM-0044527.P001, 1,1,1-trifluoro-4-[(4-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}phenyl)amino]-3-penten-2-one, (E)-1,1,1-trifluoro-4-[4-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carbonyl]anilino]pent-3-en-2-one, (3E)-1,1,1-TRIFLUORO-4-({4-[5-HYDROXY-3-METHYL-5-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBONYL]PHENYL}AMINO)PENT-3-EN-2-ONE
| Molecular Formula | C17H15F6N3O3 |
|---|---|
| Molecular Weight | 423.10 g/mol |
| LogP | 3.6064 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.10175 |
| Heavy Atoms | 29 |
| Complexity | 873.8849 |
Chemical Identifiers
| CAS Number | 6077-14-1 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)N/C(=C/C(=O)C(F)(F)F)/C |
Product Overview
BAS 00630737 (CAS 6077-14-1), with molecular formula C17H15F6N3O3 and molecular weight 423.10 g/mol. IUPAC: (E)-1,1,1-trifluoro-4-[4-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carbonyl]anilino]pent-3-en-2-one.
Chemical Property Profile of BAS 00630737
Property Insights of BAS 00630737
The XLogP value of 3.6064 indicates that BAS 00630737 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00630737. Following Lipinski's Rule of Five, BAS 00630737 has 2 hydrogen bond donor(s) and 5 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 00630737?
The CAS number of BAS 00630737 is 6077-14-1.
What is the molecular formula of BAS 00630737?
The molecular formula of BAS 00630737 is C17H15F6N3O3.
What is the molecular weight of BAS 00630737?
The molecular weight of BAS 00630737 is 423.10 g/mol.
Where can I buy BAS 00630737?
You can request a quote for BAS 00630737 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00630737?
Yes, KEHONG BIO provides custom synthesis services for BAS 00630737 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.