4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate
TL;DR: 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate (CAS 769146-99-8) is a chemical compound with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
Also Known As: 4-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 4-METHYLBENZOATE, [2-methoxy-4-[(phenylthiocarbamoylhydrazinylidene)methyl]phenyl] 4-methylbenzoate, 657-982-4, RefChem:511965
| Molecular Formula | C23H21N3O3S |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 4.54332 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.13037 |
| Heavy Atoms | 30 |
| Complexity | 1051.0483 |
Chemical Identifiers
| CAS Number | 769146-99-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)NC3=CC=CC=C3)OC |
Product Overview
4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate (CAS 769146-99-8), with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol. IUPAC: [2-methoxy-4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate.
Chemical Property Profile of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate
Property Insights of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate
The XLogP value of 4.54332 indicates that 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate. Following Lipinski's Rule of Five, 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate 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-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate?
The CAS number of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate is 769146-99-8.
What is the molecular formula of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate?
The molecular formula of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate is C23H21N3O3S.
What is the molecular weight of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate?
The molecular weight of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate is 419.13 g/mol.
Where can I buy 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate?
You can request a quote for 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.