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N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid
TL;DR: N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid (CAS 418774-27-3) is a chemical compound with molecular formula C12H13FN2O2S and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-(morpholine-4-carbothioyl)benzamide
Also Known As: 4-fluoro-N-(morpholine-4-carbothioyl)benzamide, BIM-0008259.P001, J3.284.775G, N-(4-Fluorobenzoyl)morpholine-4-carbothioamide, 4-fluoro-N-(morpholine-4-carbonothioyl)benzamide
| Molecular Formula | C12H13FN2O2S |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 1.1726 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.06818 |
| Heavy Atoms | 18 |
| Complexity | 443.89557 |
Chemical Identifiers
| CAS Number | 418774-27-3 |
|---|---|
| SMILES | C1COCCN1C(=S)NC(=O)C2=CC=C(C=C2)F |
Product Overview
N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid (CAS 418774-27-3), with molecular formula C12H13FN2O2S and molecular weight 268.07 g/mol. IUPAC: 4-fluoro-N-(morpholine-4-carbothioyl)benzamide.
Chemical Property Profile of N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid
Property Insights of N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid
The XLogP value of 1.1726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid. With a topological polar surface area (TPSA) of 41.57 Ų, N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid has 1 hydrogen bond donor(s) and 3 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 N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid?
The CAS number of N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid is 418774-27-3.
What is the molecular formula of N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid?
The molecular formula of N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid is C12H13FN2O2S.
What is the molecular weight of N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid?
The molecular weight of N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid is 268.07 g/mol.
Where can I buy N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid?
You can request a quote for N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.