Imol 881
TL;DR: Imol 881 (CAS 134018-76-1) is a chemical compound with molecular formula C13H17AsN6O2S2 and molecular weight 428.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsepane-5,6-diol
Also Known As: Imol 881, 2-(p-(4,6-Diamino-1,3,5-triazin-2-ylamino)phenyl)-1,3,2-dithiarsepane-5,6-diol, 2-(4-((4,6-Diamino-1,3,5-triazin-2-yl)amino)phenyl)-1,3,2-dithiarsepane-5,6-diol, 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsepane-5,6-diol, 1,3,2-Dithiarsepane-5,6-diol, 2-(4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-
| Molecular Formula | C13H17AsN6O2S2 |
|---|---|
| Molecular Weight | 428.01 g/mol |
| LogP | -0.3234 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.00705 |
| Heavy Atoms | 24 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 134018-76-1 |
|---|---|
| SMILES | C1C(C(CS[As](S1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)N)N)O)O |
| InChIKey | XYBCHXSLJJFHSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Imol 881 (CAS 134018-76-1), with molecular formula C13H17AsN6O2S2 and molecular weight 428.01 g/mol. IUPAC: 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsepane-5,6-diol.
Chemical Property Profile of Imol 881
Property Insights of Imol 881
The XLogP value of -0.3234 indicates that Imol 881 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.0 Ų indicates high polarity, suggesting Imol 881 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Imol 881 has 5 hydrogen bond donor(s) and 10 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 Imol 881?
The CAS number of Imol 881 is 134018-76-1.
What is the molecular formula of Imol 881?
The molecular formula of Imol 881 is C13H17AsN6O2S2.
What is the molecular weight of Imol 881?
The molecular weight of Imol 881 is 428.01 g/mol.
Where can I buy Imol 881?
You can request a quote for Imol 881 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imol 881?
Yes, KEHONG BIO provides custom synthesis services for Imol 881 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.