N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide
TL;DR: N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide (CAS 62345-63-5) is a chemical compound with molecular formula C22H29N5O2S2 and molecular weight 459.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxyphenyl)-4-[2-[(4-methoxyphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide
Also Known As: N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide, UPCMLD0ENAT0505-0139:001, N-(4-methoxyphenyl)-4-[2-[(4-methoxyphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide, N-(4-methoxyphenyl)-4-{2-[(Z)-N-(4-methoxyphenyl)-(C-sulfanylcarbonimidoyl)amino]ethyl}piperazine-1-carbothioamide, 1-Piperazinecarbothioamide, N-(4-methoxyphenyl)-4-[2-[[[(4-methoxyphenyl)amino]thioxomethyl]amino]ethyl]-
| Molecular Formula | C22H29N5O2S2 |
|---|---|
| Molecular Weight | 459.18 g/mol |
| LogP | 3.0048 |
| Topological Polar Surface Area | 61.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.17627 |
| Heavy Atoms | 31 |
| Complexity | 850.455 |
Chemical Identifiers
| CAS Number | 62345-63-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)NCCN2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC |
Product Overview
N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide (CAS 62345-63-5), with molecular formula C22H29N5O2S2 and molecular weight 459.18 g/mol. IUPAC: N-(4-methoxyphenyl)-4-[2-[(4-methoxyphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide.
Chemical Property Profile of N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide
Property Insights of N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide
The XLogP value of 3.0048 indicates that N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide has 3 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 N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide?
The CAS number of N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide is 62345-63-5.
What is the molecular formula of N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide?
The molecular formula of N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide is C22H29N5O2S2.
What is the molecular weight of N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide?
The molecular weight of N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide is 459.18 g/mol.
Where can I buy N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide?
You can request a quote for N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Methoxyphenyl)-4-(2-(3-(4-methoxyphenyl)thioureido)ethyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.