RefChem:332776
TL;DR: RefChem:332776 (CAS 88318-08-5) is a chemical compound with molecular formula C17H35Br3N4S and molecular weight 564.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1-adamantylmethylamino)ethylamino]propyl carbamimidothioate;trihydrobromide
Also Known As: S-(N-(N-(Adamantyl-1-methyl)-2-aminoethyl)-3-aminopropyl)isothiouronium trihydrobromide, Carbamimidothioic acid, 3-((2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl)amino)propyl ester, trihydrobromide, 3-[2-(1-adamantylmethylamino)ethylamino]propyl carbamimidothioate trihydrobromide, RefChem:332776
| Molecular Formula | C17H35Br3N4S |
|---|---|
| Molecular Weight | 564.01 g/mol |
| LogP | 4.13 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 566.0112 |
| Heavy Atoms | 25 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 88318-08-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CNCCNCCCSC(=N)N.Br.Br.Br |
| InChIKey | VVVKVEZHNXMMBO-UHFFFAOYSA-N |
Product Overview
RefChem:332776 (CAS 88318-08-5), with molecular formula C17H35Br3N4S and molecular weight 564.01 g/mol. IUPAC: 3-[2-(1-adamantylmethylamino)ethylamino]propyl carbamimidothioate;trihydrobromide.
Chemical Property Profile of RefChem:332776
Property Insights of RefChem:332776
The XLogP value of 4.13 indicates that RefChem:332776 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332776. Following Lipinski's Rule of Five, RefChem:332776 has 7 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:332776?
The CAS number of RefChem:332776 is 88318-08-5.
What is the molecular formula of RefChem:332776?
The molecular formula of RefChem:332776 is C17H35Br3N4S.
What is the molecular weight of RefChem:332776?
The molecular weight of RefChem:332776 is 564.01 g/mol.
Where can I buy RefChem:332776?
You can request a quote for RefChem:332776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332776?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.