Cerebrocystatin
TL;DR: Cerebrocystatin (CAS 86098-92-2) is a chemical compound with molecular formula C21H42N6S6 and molecular weight 570.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(propan-2-ylsulfanyl)-1,3,5-triazine-2,4,6-triamine
Also Known As: Cerebrocystatin, 2,4,6-Tris[N,N-bis amino]-1,3,5-triazine, 2-Propanesulfenamide, N,N',N''-1,3,5-triazine-2,4,6-triyltris[N-[(1-methylethyl)thio]-, 2,4,6-Tris[N,N-bis(isopropylthio)amino]-1,3,5-triazine, 2-Propanesulfenamide, N,N',N''-1,3,5-triazine-2,4,6-triyltris(N-((1-methylethyl)thio)-
| Molecular Formula | C21H42N6S6 |
|---|---|
| Molecular Weight | 570.18 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 570.1795 |
| Heavy Atoms | 33 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 86098-92-2 |
|---|---|
| SMILES | CC(C)SN(C1=NC(=NC(=N1)N(SC(C)C)SC(C)C)N(SC(C)C)SC(C)C)SC(C)C |
| InChIKey | AAVCLNAEMBVMFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cerebrocystatin (CAS 86098-92-2), with molecular formula C21H42N6S6 and molecular weight 570.18 g/mol. IUPAC: 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(propan-2-ylsulfanyl)-1,3,5-triazine-2,4,6-triamine.
Chemical Property Profile of Cerebrocystatin
Property Insights of Cerebrocystatin
The XLogP value of 8.8 indicates that Cerebrocystatin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 200.0 Ų indicates high polarity, suggesting Cerebrocystatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cerebrocystatin has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cerebrocystatin?
The CAS number of Cerebrocystatin is 86098-92-2.
What is the molecular formula of Cerebrocystatin?
The molecular formula of Cerebrocystatin is C21H42N6S6.
What is the molecular weight of Cerebrocystatin?
The molecular weight of Cerebrocystatin is 570.18 g/mol.
Where can I buy Cerebrocystatin?
You can request a quote for Cerebrocystatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cerebrocystatin?
Yes, KEHONG BIO provides custom synthesis services for Cerebrocystatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.