4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate
TL;DR: 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate (CAS 303087-93-6) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] benzoate
Also Known As: 4-(2-(AMINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL BENZOATE, [4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] benzoate, 4-{(E)-[(AMINOCARBONOTHIOYL)HYDRAZONO]METHYL}-2-METHOXYPHENYL BENZOATE, 652-909-2, RefChem:511922
| Molecular Formula | C16H15N3O3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 2.0815 |
| Topological Polar Surface Area | 85.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.0834 |
| Heavy Atoms | 23 |
| Complexity | 732.6052 |
Chemical Identifiers
| CAS Number | 303087-93-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=NNC(=S)N)OC(=O)C2=CC=CC=C2 |
Product Overview
4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate (CAS 303087-93-6), with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol. IUPAC: [4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] benzoate.
Chemical Property Profile of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate
Property Insights of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate
The XLogP value of 2.0815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate. The TPSA of 85.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate. Following Lipinski's Rule of Five, 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate 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 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate?
The CAS number of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate is 303087-93-6.
What is the molecular formula of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate?
The molecular formula of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate is C16H15N3O3S.
What is the molecular weight of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate?
The molecular weight of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate is 329.08 g/mol.
Where can I buy 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate?
You can request a quote for 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.