2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr
TL;DR: 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr (CAS 83699-45-0) is a chemical compound with molecular formula C14H24BrN3OS and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(adamantane-1-carbonylamino)ethyl carbamimidothioate;hydrobromide
Also Known As: 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr, Carbamimidothioic acid, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl ester, monohydrobromide, 2-(adamantane-1-carbonylamino)ethyl carbamimidothioate hydrobromide, 2-(adamantane-1-carbonylamino)ethyl carbamimidothioate,hydrobromide, 2-(Tricyclo[3.3.1.1~3,7~]decane-1-carboxamido)ethyl carbamimidothioate--hydrogen bromide (1/1)
| Molecular Formula | C14H24BrN3OS |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | 2.52357 |
| Topological Polar Surface Area | 78.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.08234 |
| Heavy Atoms | 20 |
| Complexity | 366.59604 |
Chemical Identifiers
| CAS Number | 83699-45-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NCCSC(=N)N.Br |
Product Overview
2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr (CAS 83699-45-0), with molecular formula C14H24BrN3OS and molecular weight 361.08 g/mol. IUPAC: 2-(adamantane-1-carbonylamino)ethyl carbamimidothioate;hydrobromide.
Chemical Property Profile of 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr
Property Insights of 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr
The XLogP value of 2.52357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr. The TPSA of 78.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr. Following Lipinski's Rule of Five, 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr has 3 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 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr?
The CAS number of 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr is 83699-45-0.
What is the molecular formula of 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr?
The molecular formula of 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr is C14H24BrN3OS.
What is the molecular weight of 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr?
The molecular weight of 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr is 361.08 g/mol.
Where can I buy 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr?
You can request a quote for 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr?
Yes, KEHONG BIO provides custom synthesis services for 2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)ethyl carbamimidothioate HBr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.