RefChem:332769
TL;DR: RefChem:332769 (CAS 88313-63-7) is a chemical compound with molecular formula C15H26BrN3OS and molecular weight 375.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(1-adamantyl)acetyl]amino]ethyl carbamimidothioate;hydrobromide
Also Known As: S-(2-(2-(Adamantyl-1)-acetamido)ethyl)isothiouronium bromide, 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylacetyl)amino)ethyl carbamimidothioate hydrobromide, 2-[[2-(1-adamantyl)acetyl]amino]ethyl carbamimidothioate hydrobromide, Carbamimidothioic acid, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylacetyl)amino)ethyl ester, monohydrobromide, RefChem:332769
| Molecular Formula | C15H26BrN3OS |
|---|---|
| Molecular Weight | 375.10 g/mol |
| LogP | 2.91 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.098 |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 88313-63-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CC(=O)NCCSC(=N)N.Br |
| InChIKey | MYPJBFRUFVLVEQ-UHFFFAOYSA-N |
Product Overview
RefChem:332769 (CAS 88313-63-7), with molecular formula C15H26BrN3OS and molecular weight 375.10 g/mol. IUPAC: 2-[[2-(1-adamantyl)acetyl]amino]ethyl carbamimidothioate;hydrobromide.
Chemical Property Profile of RefChem:332769
Property Insights of RefChem:332769
The XLogP value of 2.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:332769. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332769. Following Lipinski's Rule of Five, RefChem:332769 has 4 hydrogen bond donor(s) and 3 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:332769?
The CAS number of RefChem:332769 is 88313-63-7.
What is the molecular formula of RefChem:332769?
The molecular formula of RefChem:332769 is C15H26BrN3OS.
What is the molecular weight of RefChem:332769?
The molecular weight of RefChem:332769 is 375.10 g/mol.
Where can I buy RefChem:332769?
You can request a quote for RefChem:332769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332769?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.