2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate
TL;DR: 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate (CAS 765303-49-9) is a chemical compound with molecular formula C27H29N3O4S and molecular weight 491.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate
Also Known As: 2-METHOXY-4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE, [2-methoxy-4-[[(3-methylphenyl)thiocarbamoylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate, 658-020-6, RefChem:474313
| Molecular Formula | C27H29N3O4S |
|---|---|
| Molecular Weight | 491.19 g/mol |
| LogP | 5.72222 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 491.18787 |
| Heavy Atoms | 35 |
| Complexity | 1179.2988 |
Chemical Identifiers
| CAS Number | 765303-49-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)NC3=CC=CC(=C3)C)OC |
Product Overview
2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate (CAS 765303-49-9), with molecular formula C27H29N3O4S and molecular weight 491.19 g/mol. IUPAC: [2-methoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate.
Chemical Property Profile of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate
Property Insights of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate
The XLogP value of 5.72222 indicates that 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 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 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate. Following Lipinski's Rule of Five, 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 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 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate?
The CAS number of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate is 765303-49-9.
What is the molecular formula of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate?
The molecular formula of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate is C27H29N3O4S.
What is the molecular weight of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate?
The molecular weight of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate is 491.19 g/mol.
Where can I buy 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate?
You can request a quote for 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-butoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.