A4007/0170845
TL;DR: A4007/0170845 (CAS 956786-17-7) is a chemical compound with molecular formula C14H12F3N3O4 and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-5-carboxylate
Also Known As: A4007/0170845, methyl 1-methyl-3-((4-(trifluoromethoxy)phenyl)carbamoyl)-1H-pyrazole-5-carboxylate, methyl 1-methyl-3-({[4-(trifluoromethoxy)phenyl]amino}carbonyl)-1H-pyrazole-5-carboxylate, METHYL 1-METHYL-3-{[4-(TRIFLUOROMETHOXY)ANILINO]CARBONYL}-1H-PYRAZOLE-5-CARBOXYLATE, methyl 1-methyl-3-{[4-(trifluoromethoxy)phenyl]carbamoyl}-1H-pyrazole-5-carboxylate
| Molecular Formula | C14H12F3N3O4 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 2.3576 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.078 |
| Heavy Atoms | 24 |
| Complexity | 753.6154 |
Chemical Identifiers
| CAS Number | 956786-17-7 |
|---|---|
| SMILES | CN1C(=CC(=N1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)OC |
Product Overview
A4007/0170845 (CAS 956786-17-7), with molecular formula C14H12F3N3O4 and molecular weight 343.08 g/mol. IUPAC: methyl 1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-5-carboxylate.
Chemical Property Profile of A4007/0170845
Property Insights of A4007/0170845
The XLogP value of 2.3576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4007/0170845. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for A4007/0170845. Following Lipinski's Rule of Five, A4007/0170845 has 1 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 A4007/0170845?
The CAS number of A4007/0170845 is 956786-17-7.
What is the molecular formula of A4007/0170845?
The molecular formula of A4007/0170845 is C14H12F3N3O4.
What is the molecular weight of A4007/0170845?
The molecular weight of A4007/0170845 is 343.08 g/mol.
Where can I buy A4007/0170845?
You can request a quote for A4007/0170845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4007/0170845?
Yes, KEHONG BIO provides custom synthesis services for A4007/0170845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.