![Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate structure](/static/products/7123/712341-01-0.webp)
Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate
TL;DR: Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate (CAS 712341-01-0) is a chemical compound with molecular formula C19H15FN2O3S2 and molecular weight 402.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: CBKinase1_008445, CBKinase1_020845, AO-080/42577197, BRD-K86338483-001-01-0, methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C19H15FN2O3S2 |
|---|---|
| Molecular Weight | 402.05 g/mol |
| LogP | 4.4666 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.0508 |
| Heavy Atoms | 27 |
| Complexity | 957.59845 |
Chemical Identifiers
| CAS Number | 712341-01-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=CS2)C3=CC=C(C=C3)F |
Product Overview
Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate (CAS 712341-01-0), with molecular formula C19H15FN2O3S2 and molecular weight 402.05 g/mol. IUPAC: methyl 2-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate
Property Insights of Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate
The XLogP value of 4.4666 indicates that Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate has 1 hydrogen bond donor(s) and 6 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-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate?
The CAS number of Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate is 712341-01-0.
What is the molecular formula of Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate?
The molecular formula of Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate is C19H15FN2O3S2.
What is the molecular weight of Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate?
The molecular weight of Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate is 402.05 g/mol.
Where can I buy Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate?
You can request a quote for Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.