4X-0867
TL;DR: 4X-0867 (CAS 866038-34-8) is a chemical compound with molecular formula C28H45N5S2 and molecular weight 515.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-4-[2-(1-adamantylcarbamothioylamino)ethyl]piperazine-1-carbothioamide
Also Known As: 4X-0867, N-(1-adamantyl)-4-(2-{[(1-adamantylamino)carbothioyl]amino}ethyl)tetrahydro-1(2H)-pyrazinecarbothioamide, N-(1-adamantyl)-4-[2-(1-adamantylcarbamothioylamino)ethyl]piperazine-1-carbothioamide, N-(adamantan-1-yl)-4-(2-{[(adamantan-1-yl)carbamothioyl]amino}ethyl)piperazine-1-carbothioamide, N-(1-adamantyl)-4-[2-(1-adamantylthiocarbamoylamino)ethyl]piperazine-1-carbothioamide
| Molecular Formula | C28H45N5S2 |
|---|---|
| Molecular Weight | 515.31 g/mol |
| LogP | 3.8802 |
| Topological Polar Surface Area | 42.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.31165 |
| Heavy Atoms | 35 |
| Complexity | 776.9624 |
Chemical Identifiers
| CAS Number | 866038-34-8 |
|---|---|
| SMILES | C1CN(CCN1CCNC(=S)NC23CC4CC(C2)CC(C4)C3)C(=S)NC56CC7CC(C5)CC(C7)C6 |
Product Overview
4X-0867 (CAS 866038-34-8), with molecular formula C28H45N5S2 and molecular weight 515.31 g/mol. IUPAC: N-(1-adamantyl)-4-[2-(1-adamantylcarbamothioylamino)ethyl]piperazine-1-carbothioamide.
Chemical Property Profile of 4X-0867
Property Insights of 4X-0867
The XLogP value of 3.8802 indicates that 4X-0867 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-0867 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4X-0867 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-0867?
The CAS number of 4X-0867 is 866038-34-8.
What is the molecular formula of 4X-0867?
The molecular formula of 4X-0867 is C28H45N5S2.
What is the molecular weight of 4X-0867?
The molecular weight of 4X-0867 is 515.31 g/mol.
Where can I buy 4X-0867?
You can request a quote for 4X-0867 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4X-0867?
Yes, KEHONG BIO provides custom synthesis services for 4X-0867 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.