4X-0877
TL;DR: 4X-0877 (CAS 866038-42-8) is a chemical compound with molecular formula C20H21Cl4N5S2 and molecular weight 535.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dichlorophenyl)-4-[2-[(3,5-dichlorophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide
Also Known As: 4X-0877, 4-(2-{[(3,5-dichloroanilino)carbothioyl]amino}ethyl)-N-(3,5-dichlorophenyl)tetrahydro-1(2H)-pyrazinecarbothioamide, N-(3,5-dichlorophenyl)-4-(2-{[(3,5-dichlorophenyl)carbamothioyl]amino}ethyl)piperazine-1-carbothioamide, N-(3,5-dichlorophenyl)-4-[2-[(3,5-dichlorophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide
| Molecular Formula | C20H21Cl4N5S2 |
|---|---|
| Molecular Weight | 535.00 g/mol |
| LogP | 5.6012 |
| Topological Polar Surface Area | 42.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 534.99927 |
| Heavy Atoms | 31 |
| Complexity | 907.9077 |
Chemical Identifiers
| CAS Number | 866038-42-8 |
|---|---|
| SMILES | C1CN(CCN1CCNC(=S)NC2=CC(=CC(=C2)Cl)Cl)C(=S)NC3=CC(=CC(=C3)Cl)Cl |
Product Overview
4X-0877 (CAS 866038-42-8), with molecular formula C20H21Cl4N5S2 and molecular weight 535.00 g/mol. IUPAC: N-(3,5-dichlorophenyl)-4-[2-[(3,5-dichlorophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide.
Chemical Property Profile of 4X-0877
Property Insights of 4X-0877
The XLogP value of 5.6012 indicates that 4X-0877 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-0877 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4X-0877 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-0877?
The CAS number of 4X-0877 is 866038-42-8.
What is the molecular formula of 4X-0877?
The molecular formula of 4X-0877 is C20H21Cl4N5S2.
What is the molecular weight of 4X-0877?
The molecular weight of 4X-0877 is 535.00 g/mol.
Where can I buy 4X-0877?
You can request a quote for 4X-0877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4X-0877?
Yes, KEHONG BIO provides custom synthesis services for 4X-0877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.