4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate
TL;DR: 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate (CAS 765274-42-8) is a chemical compound with molecular formula C26H27N3O4S and molecular weight 477.17 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-butoxybenzoate
Also Known As: 4-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 4-BUTOXYBENZOATE, [2-methoxy-4-[(phenylthiocarbamoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate, 656-600-3, RefChem:511962
| Molecular Formula | C26H27N3O4S |
|---|---|
| Molecular Weight | 477.17 g/mol |
| LogP | 5.4138 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 477.17224 |
| Heavy Atoms | 34 |
| Complexity | 1118.6494 |
Chemical Identifiers
| CAS Number | 765274-42-8 |
|---|---|
| SMILES | CCCCOC1=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-butoxybenzoate (CAS 765274-42-8), with molecular formula C26H27N3O4S and molecular weight 477.17 g/mol. IUPAC: [2-methoxy-4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate.
Chemical Property Profile of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate
Property Insights of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate
The XLogP value of 5.4138 indicates that 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate. Following Lipinski's Rule of Five, 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate?
The CAS number of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate is 765274-42-8.
What is the molecular formula of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate?
The molecular formula of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate is C26H27N3O4S.
What is the molecular weight of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate?
The molecular weight of 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate is 477.17 g/mol.
Where can I buy 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate?
You can request a quote for 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate 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-butoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(Anilinocarbothioyl)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.