![Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate structure](/static/products/860/860610-07-7.png)
Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate
TL;DR: Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate (CAS 860610-07-7) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(benzoylcarbamothioylamino)-3-methylbenzoate
Also Known As: methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate, methyl 4-(benzoylcarbamothioylamino)-3-methylbenzoate, methyl 3-methyl-4-{[(phenylformamido)methanethioyl]amino}benzoate, 10P-926, methyl 4-(benzoylcarbamothioylamino)-3-methyl-benzoate
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 2.90842 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 744.7586 |
Chemical Identifiers
| CAS Number | 860610-07-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)OC)NC(=S)NC(=O)C2=CC=CC=C2 |
Product Overview
Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate (CAS 860610-07-7), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: methyl 4-(benzoylcarbamothioylamino)-3-methylbenzoate.
Chemical Property Profile of Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate
Property Insights of Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate
The XLogP value of 2.90842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate has 2 hydrogen bond donor(s) and 4 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}-3-methylbenzenecarboxylate?
The CAS number of Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate is 860610-07-7.
What is the molecular formula of Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate?
The molecular formula of Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate is C17H16N2O3S.
What is the molecular weight of Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate?
The molecular weight of Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate is 328.09 g/mol.
Where can I buy Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate?
You can request a quote for Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate 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}-3-methylbenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(benzoylamino)carbothioyl]amino}-3-methylbenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.