![methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate structure](/static/products/862/862245-97-4.png)
methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate
TL;DR: methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate (CAS 862245-97-4) is a chemical compound with molecular formula C18H15N3O3S2 and molecular weight 385.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate
Also Known As: methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate, Methyl 2-[(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate, methyl 2-(4-amino-3-phenyl-2-thioxo-2,3-dihydrothiazole-5-carboxamido)benzoate
| Molecular Formula | C18H15N3O3S2 |
|---|---|
| Molecular Weight | 385.06 g/mol |
| LogP | 3.88939 |
| Topological Polar Surface Area | 86.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.05548 |
| Heavy Atoms | 26 |
| Complexity | 1025.6606 |
Chemical Identifiers
| CAS Number | 862245-97-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N |
Product Overview
methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate (CAS 862245-97-4), with molecular formula C18H15N3O3S2 and molecular weight 385.06 g/mol. IUPAC: methyl 2-[(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate
Property Insights of methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate
The XLogP value of 3.88939 indicates that methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.35 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate has 2 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-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate?
The CAS number of methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate is 862245-97-4.
What is the molecular formula of methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate?
The molecular formula of methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate is C18H15N3O3S2.
What is the molecular weight of methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate?
The molecular weight of methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate is 385.06 g/mol.
Where can I buy methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate?
You can request a quote for methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]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-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.