9B-099
TL;DR: 9B-099 (CAS 338975-50-1) is a chemical compound with molecular formula C8H8F3N3O3 and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-oxo-5-(trifluoromethyl)-1,2-dihydropyrazol-4-yl]methylideneamino]acetate
Also Known As: 9B-099, methyl 2-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)acetate, methyl 2-({[5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)acetate, methyl 2-[[3-oxo-5-(trifluoromethyl)-1,2-dihydropyrazol-4-yl]methylideneamino]acetate, methyl 2-[[(Z)-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-ylidene]methyl]amino]acetate
| Molecular Formula | C8H8F3N3O3 |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 0.3137 |
| Topological Polar Surface Area | 87.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.05177 |
| Heavy Atoms | 17 |
| Complexity | 486.18533 |
Chemical Identifiers
| CAS Number | 338975-50-1 |
|---|---|
| SMILES | COC(=O)CN=CC1=C(NNC1=O)C(F)(F)F |
Product Overview
9B-099 (CAS 338975-50-1), with molecular formula C8H8F3N3O3 and molecular weight 251.05 g/mol. IUPAC: methyl 2-[[3-oxo-5-(trifluoromethyl)-1,2-dihydropyrazol-4-yl]methylideneamino]acetate.
Chemical Property Profile of 9B-099
Property Insights of 9B-099
The XLogP value of 0.3137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9B-099. The TPSA of 87.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 9B-099. Following Lipinski's Rule of Five, 9B-099 has 2 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 9B-099?
The CAS number of 9B-099 is 338975-50-1.
What is the molecular formula of 9B-099?
The molecular formula of 9B-099 is C8H8F3N3O3.
What is the molecular weight of 9B-099?
The molecular weight of 9B-099 is 251.05 g/mol.
Where can I buy 9B-099?
You can request a quote for 9B-099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9B-099?
Yes, KEHONG BIO provides custom synthesis services for 9B-099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.