Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate
TL;DR: Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate (CAS 400877-69-2) is a chemical compound with molecular formula C11H10N2O2S2 and molecular weight 266.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv2_008034, IDI1_006749, methyl 4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate, methyl 4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate, Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate
| Molecular Formula | C11H10N2O2S2 |
|---|---|
| Molecular Weight | 266.02 g/mol |
| LogP | 2.63709 |
| Topological Polar Surface Area | 57.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.01837 |
| Heavy Atoms | 17 |
| Complexity | 601.67914 |
Chemical Identifiers
| CAS Number | 400877-69-2 |
|---|---|
| SMILES | COC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2)N |
Product Overview
Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate (CAS 400877-69-2), with molecular formula C11H10N2O2S2 and molecular weight 266.02 g/mol. IUPAC: methyl 4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate
Property Insights of Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate
The XLogP value of 2.63709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate. With a topological polar surface area (TPSA) of 57.25 Ų, Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate 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 Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate?
The CAS number of Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate is 400877-69-2.
What is the molecular formula of Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate?
The molecular formula of Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate is C11H10N2O2S2.
What is the molecular weight of Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate?
The molecular weight of Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate is 266.02 g/mol.
Where can I buy Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate?
You can request a quote for Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.