RefChem:1089092
TL;DR: RefChem:1089092 (CAS 30771-86-9) is a chemical compound with molecular formula C15H26N2O4S2 and molecular weight 362.13 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]propan-2-yloxy]adamantane
Also Known As: S-((N-(2-(1-Adamantyloxy)-2-methylethyl)amidino)methyl) hydrogen thiosulfate, Methanethiol, N-(2-(1-adamantyloxy)-2-methylethyl)amidino-, hydrogen thiosulfate (ester), 1-[1-[(1-amino-2-sulfosulfanylethylidene)amino]propan-2-ylox, 1-[1-methyl-2-[(2-sulfosulfanylethanimidoyl)amino]ethoxy]adamantane, Thiosulfuric acid, S-ester with N-(2-(1-adamantyloxy)propyl)-2-mercaptoacetamidine
| Molecular Formula | C15H26N2O4S2 |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.1334 |
| Heavy Atoms | 23 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 30771-86-9 |
|---|---|
| SMILES | CC(CN=C(CSS(=O)(=O)O)N)OC12CC3CC(C1)CC(C3)C2 |
| InChIKey | UCDWLIXRVZBBKA-UHFFFAOYSA-N |
Product Overview
RefChem:1089092 (CAS 30771-86-9), with molecular formula C15H26N2O4S2 and molecular weight 362.13 g/mol. IUPAC: 1-[1-[(1-amino-2-sulfosulfanylethylidene)amino]propan-2-yloxy]adamantane.
Chemical Property Profile of RefChem:1089092
Property Insights of RefChem:1089092
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1089092. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1089092. Following Lipinski's Rule of Five, RefChem:1089092 has 2 hydrogen bond donor(s) and 6 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 RefChem:1089092?
The CAS number of RefChem:1089092 is 30771-86-9.
What is the molecular formula of RefChem:1089092?
The molecular formula of RefChem:1089092 is C15H26N2O4S2.
What is the molecular weight of RefChem:1089092?
The molecular weight of RefChem:1089092 is 362.13 g/mol.
Where can I buy RefChem:1089092?
You can request a quote for RefChem:1089092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1089092?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1089092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.