![Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate structure](/static/products/4778/477889-75-1.webp)
Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate
TL;DR: Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate (CAS 477889-75-1) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(benzoylcarbamothioylamino)-2-methoxybenzoate
Also Known As: methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate, methyl 4-(benzoylcarbamothioylamino)-2-methoxybenzoate, methyl 2-methoxy-4-{[(phenylformamido)methanethioyl]amino}benzoate, 2R-0656, methyl 4-(benzoylcarbamothioylamino)-2-methoxy-benzoate
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 2.6086 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 762.4408 |
Chemical Identifiers
| CAS Number | 477889-75-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2)C(=O)OC |
Product Overview
Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate (CAS 477889-75-1), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: methyl 4-(benzoylcarbamothioylamino)-2-methoxybenzoate.
Chemical Property Profile of Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate
Property Insights of Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate
The XLogP value of 2.6086 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate has 2 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-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate?
The CAS number of Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate is 477889-75-1.
What is the molecular formula of Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate?
The molecular formula of Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate is C17H16N2O4S.
What is the molecular weight of Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate?
The molecular weight of Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate is 344.08 g/mol.
Where can I buy Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate?
You can request a quote for Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(benzoylamino)carbothioyl]amino}-2-methoxybenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.