4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate
TL;DR: 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate (CAS 477730-02-2) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Also Known As: SALOR-INT L235768-1EA, 4-(2-(AMINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-PHENYLACRYLATE, [4-[(carbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-phenylprop-2-enoate, 647-469-3, RefChem:511921
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 2.4811 |
| Topological Polar Surface Area | 85.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 804.4685 |
Chemical Identifiers
| CAS Number | 477730-02-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=N/NC(=S)N)OC(=O)/C=C/C2=CC=CC=C2 |
Product Overview
4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate (CAS 477730-02-2), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate
Property Insights of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate
The XLogP value of 2.4811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate. The TPSA of 85.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate. Following Lipinski's Rule of Five, 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate 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 3-phenylacrylate?
The CAS number of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate is 477730-02-2.
What is the molecular formula of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate?
The molecular formula of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate is C18H17N3O3S.
What is the molecular weight of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate?
The molecular weight of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate is 355.10 g/mol.
Where can I buy 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate?
You can request a quote for 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate 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 3-phenylacrylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.