Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate
TL;DR: Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate (CAS 702667-52-5) is a chemical compound with molecular formula C14H12FN3O2S and molecular weight 305.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-fluorophenyl)carbamothioylamino]pyridine-3-carboxylate
Also Known As: methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate, F6548-3490, methyl 2-[(4-fluorophenyl)carbamothioylamino]pyridine-3-carboxylate, methyl 2-{[(4-fluorophenyl)carbamothioyl]amino}pyridine-3-carboxylate, Methyl 2-[(4-fluorophenyl)thiocarbamoylamino]pyridine-3-carboxylate
| Molecular Formula | C14H12FN3O2S |
|---|---|
| Molecular Weight | 305.06 g/mol |
| LogP | 2.8162 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.06342 |
| Heavy Atoms | 21 |
| Complexity | 661.5236 |
Chemical Identifiers
| CAS Number | 702667-52-5 |
|---|---|
| SMILES | COC(=O)C1=C(N=CC=C1)NC(=S)NC2=CC=C(C=C2)F |
Product Overview
Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate (CAS 702667-52-5), with molecular formula C14H12FN3O2S and molecular weight 305.06 g/mol. IUPAC: methyl 2-[(4-fluorophenyl)carbamothioylamino]pyridine-3-carboxylate.
Chemical Property Profile of Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate
Property Insights of Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate
The XLogP value of 2.8162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate. Following Lipinski's Rule of Five, Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate 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 Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate?
The CAS number of Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate is 702667-52-5.
What is the molecular formula of Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate?
The molecular formula of Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate is C14H12FN3O2S.
What is the molecular weight of Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate?
The molecular weight of Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate is 305.06 g/mol.
Where can I buy Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate?
You can request a quote for Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-(4-fluorophenyl)thioureido)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.