AE-848/33858022
TL;DR: AE-848/33858022 (CAS 128487-69-4) is a chemical compound with molecular formula C14H24N2O4S2 and molecular weight 348.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-3-hydroxyadamantane
Also Known As: AE-848/33858022, Thiosulfuric acid, S-(2-((1-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)ethyl)amino)-2-iminoethyl) ester, dihydrate, S-(2-{[1-(3-hydroxy-1-adamantyl)ethyl]amino}-2-iminoethyl) hydrogen thiosulfate, 1-[1-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-3-hydroxyadamantane, 3-[1-[(1-amino-2-sulfosulfanyl-ethylidene)amino]ethyl]-1-hydroxy-adamantane
| Molecular Formula | C14H24N2O4S2 |
|---|---|
| Molecular Weight | 348.12 g/mol |
| LogP | 1.5994 |
| Topological Polar Surface Area | 112.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.11774 |
| Heavy Atoms | 22 |
| Complexity | 575.65027 |
Chemical Identifiers
| CAS Number | 128487-69-4 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)(C2)O)N=C(CSS(=O)(=O)O)N |
Product Overview
AE-848/33858022 (CAS 128487-69-4), with molecular formula C14H24N2O4S2 and molecular weight 348.12 g/mol. IUPAC: 1-[1-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-3-hydroxyadamantane.
Chemical Property Profile of AE-848/33858022
Property Insights of AE-848/33858022
The XLogP value of 1.5994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/33858022. The TPSA of 112.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/33858022. Following Lipinski's Rule of Five, AE-848/33858022 has 3 hydrogen bond donor(s) and 5 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 AE-848/33858022?
The CAS number of AE-848/33858022 is 128487-69-4.
What is the molecular formula of AE-848/33858022?
The molecular formula of AE-848/33858022 is C14H24N2O4S2.
What is the molecular weight of AE-848/33858022?
The molecular weight of AE-848/33858022 is 348.12 g/mol.
Where can I buy AE-848/33858022?
You can request a quote for AE-848/33858022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/33858022?
Yes, KEHONG BIO provides custom synthesis services for AE-848/33858022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.