(Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate
TL;DR: (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate (CAS 488857-72-3) is a chemical compound with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-[(Z)-N-(carbamothioylamino)-C-ethylcarbonimidoyl]-2-methoxyphenoxy]methyl]benzoate
Also Known As: (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate, methyl 4-[[4-[(Z)-N-(carbamothioylamino)-C-ethylcarbonimidoyl]-2-methoxyphenoxy]methyl]benzoate
| Molecular Formula | C20H23N3O4S |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 3.0081 |
| Topological Polar Surface Area | 95.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.14093 |
| Heavy Atoms | 28 |
| Complexity | 866.2546 |
Chemical Identifiers
| CAS Number | 488857-72-3 |
|---|---|
| SMILES | CC/C(=N/NC(=S)N)/C1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC)OC |
Product Overview
(Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate (CAS 488857-72-3), with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol. IUPAC: methyl 4-[[4-[(Z)-N-(carbamothioylamino)-C-ethylcarbonimidoyl]-2-methoxyphenoxy]methyl]benzoate.
Chemical Property Profile of (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate
Property Insights of (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate
The XLogP value of 3.0081 indicates that (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate has 2 hydrogen bond donor(s) and 6 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 (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate?
The CAS number of (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate is 488857-72-3.
What is the molecular formula of (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate?
The molecular formula of (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate is C20H23N3O4S.
What is the molecular weight of (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate?
The molecular weight of (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate is 401.14 g/mol.
Where can I buy (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate?
You can request a quote for (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-((4-(1-(2-carbamothioylhydrazono)propyl)-2-methoxyphenoxy)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.