A3250/0138120
TL;DR: A3250/0138120 (CAS 879472-46-5) is a chemical compound with molecular formula C17H13FN6O2S and molecular weight 384.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]pyridine-3-carboxamide
Also Known As: A3250/0138120, N-(2-(5-(4-fluorophenyl)-1H-pyrazole-3-carbonyl)hydrazinecarbonothioyl)nicotinamide, N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]pyridine-3-carboxamide, 5-(4-FLUOROPHENYL)-N-({[(PYRIDIN-3-YL)FORMAMIDO]METHANETHIOYL}AMINO)-1H-PYRAZOLE-3-CARBOXAMIDE, N-[(2-{[5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl}hydrazinyl)carbonothioyl]pyridine-3-carboxamide
| Molecular Formula | C17H13FN6O2S |
|---|---|
| Molecular Weight | 384.08 g/mol |
| LogP | 1.5601 |
| Topological Polar Surface Area | 111.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.08047 |
| Heavy Atoms | 27 |
| Complexity | 974.6034 |
Chemical Identifiers
| CAS Number | 879472-46-5 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)NC(=S)NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F |
Product Overview
A3250/0138120 (CAS 879472-46-5), with molecular formula C17H13FN6O2S and molecular weight 384.08 g/mol. IUPAC: N-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]pyridine-3-carboxamide.
Chemical Property Profile of A3250/0138120
Property Insights of A3250/0138120
The XLogP value of 1.5601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3250/0138120. The TPSA of 111.8 Ų falls within the moderate polarity range, balancing permeability and solubility for A3250/0138120. Following Lipinski's Rule of Five, A3250/0138120 has 4 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 A3250/0138120?
The CAS number of A3250/0138120 is 879472-46-5.
What is the molecular formula of A3250/0138120?
The molecular formula of A3250/0138120 is C17H13FN6O2S.
What is the molecular weight of A3250/0138120?
The molecular weight of A3250/0138120 is 384.08 g/mol.
Where can I buy A3250/0138120?
You can request a quote for A3250/0138120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3250/0138120?
Yes, KEHONG BIO provides custom synthesis services for A3250/0138120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.