4X-0878
TL;DR: 4X-0878 (CAS 866038-43-9) is a chemical compound with molecular formula C28H41N5S2 and molecular weight 511.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-tert-butylphenyl)-4-[2-[(4-tert-butylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide
Also Known As: 4X-0878, 4-[2-({[4-(tert-butyl)anilino]carbothioyl}amino)ethyl]-N-[4-(tert-butyl)phenyl]tetrahydro-1(2H)-pyrazinecarbothioamide, N-(4-tert-butylphenyl)-4-[2-[(4-tert-butylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide, N-(4-tert-butylphenyl)-4-(2-{[(4-tert-butylphenyl)carbamothioyl]amino}ethyl)piperazine-1-carbothioamide
| Molecular Formula | C28H41N5S2 |
|---|---|
| Molecular Weight | 511.28 g/mol |
| LogP | 5.5826 |
| Topological Polar Surface Area | 42.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.28033 |
| Heavy Atoms | 35 |
| Complexity | 977.2382 |
Chemical Identifiers
| CAS Number | 866038-43-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)NC(=S)NCCN2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(C)(C)C |
Product Overview
4X-0878 (CAS 866038-43-9), with molecular formula C28H41N5S2 and molecular weight 511.28 g/mol. IUPAC: N-(4-tert-butylphenyl)-4-[2-[(4-tert-butylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide.
Chemical Property Profile of 4X-0878
Property Insights of 4X-0878
The XLogP value of 5.5826 indicates that 4X-0878 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.57 Ų, 4X-0878 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4X-0878 has 3 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 4X-0878?
The CAS number of 4X-0878 is 866038-43-9.
What is the molecular formula of 4X-0878?
The molecular formula of 4X-0878 is C28H41N5S2.
What is the molecular weight of 4X-0878?
The molecular weight of 4X-0878 is 511.28 g/mol.
Where can I buy 4X-0878?
You can request a quote for 4X-0878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4X-0878?
Yes, KEHONG BIO provides custom synthesis services for 4X-0878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.