Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate
TL;DR: Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate (CAS 351060-55-4) is a chemical compound with molecular formula C25H26N2O2S and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate
Also Known As: ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate, ethyl 4-(3-(3,3-diphenylpropyl)thioureido)benzoate, ethyl 4-{[(3,3-diphenylpropyl)carbamothioyl]amino}benzoate, ethyl 4-({[(3,3-diphenylpropyl)amino]carbonothioyl}amino)benzoate
| Molecular Formula | C25H26N2O2S |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 5.3719 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.1715 |
| Heavy Atoms | 30 |
| Complexity | 904.4022 |
Chemical Identifiers
| CAS Number | 351060-55-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate (CAS 351060-55-4), with molecular formula C25H26N2O2S and molecular weight 418.17 g/mol. IUPAC: ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate.
Chemical Property Profile of Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate
Property Insights of Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate
The XLogP value of 5.3719 indicates that Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate?
The CAS number of Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate is 351060-55-4.
What is the molecular formula of Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate?
The molecular formula of Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate is C25H26N2O2S.
What is the molecular weight of Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate?
The molecular weight of Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate is 418.17 g/mol.
Where can I buy Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate?
You can request a quote for Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3,3-diphenylpropylcarbamothioylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.