4X-0871
TL;DR: 4X-0871 (CAS 866038-37-1) is a chemical compound with molecular formula C22H27Cl2N5S2 and molecular weight 495.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methylphenyl)-4-[2-[(4-chloro-2-methylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide
Also Known As: 4X-0871, 4-(2-{[(4-chloro-2-methylanilino)carbothioyl]amino}ethyl)-N-(4-chloro-2-methylphenyl)tetrahydro-1(2H)-pyrazinecarbothioamide, N-(4-chloro-2-methylphenyl)-4-[2-[(4-chloro-2-methylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide, N-(4-chloro-2-methylphenyl)-4-(2-{[(4-chloro-2-methylphenyl)carbamothioyl]amino}ethyl)piperazine-1-carbothioamide
| Molecular Formula | C22H27Cl2N5S2 |
|---|---|
| Molecular Weight | 495.11 g/mol |
| LogP | 4.91124 |
| Topological Polar Surface Area | 42.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.1085 |
| Heavy Atoms | 31 |
| Complexity | 942.7388 |
Chemical Identifiers
| CAS Number | 866038-37-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=S)NCCN2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Cl)C |
Product Overview
4X-0871 (CAS 866038-37-1), with molecular formula C22H27Cl2N5S2 and molecular weight 495.11 g/mol. IUPAC: N-(4-chloro-2-methylphenyl)-4-[2-[(4-chloro-2-methylphenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide.
Chemical Property Profile of 4X-0871
Property Insights of 4X-0871
The XLogP value of 4.91124 indicates that 4X-0871 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-0871 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4X-0871 has 3 hydrogen bond donor(s) and 3 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 4X-0871?
The CAS number of 4X-0871 is 866038-37-1.
What is the molecular formula of 4X-0871?
The molecular formula of 4X-0871 is C22H27Cl2N5S2.
What is the molecular weight of 4X-0871?
The molecular weight of 4X-0871 is 495.11 g/mol.
Where can I buy 4X-0871?
You can request a quote for 4X-0871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4X-0871?
Yes, KEHONG BIO provides custom synthesis services for 4X-0871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.