Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide
TL;DR: Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide (CAS 37018-52-3) is a chemical compound with molecular formula C13H25Br2N3S and molecular weight 413.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantylamino)ethyl carbamimidothioate;dihydrobromide
Also Known As: Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide, 2-(2-(1-Adamantyl)aminoethyl)thiopseudourea dihydrobromide, 2-(1-adamantylamino)ethyl carbamimidothioate dihydrobromide, Carbamimidothioic acid, 2-(tricyclo(3.3.1.13,7)dec-1-ylamino)ethyl ester, dihydrobromide, Pseudourea, 2-[2-(1-adamantylamino)ethyl]-2-thio-, dihydrobromide
| Molecular Formula | C13H25Br2N3S |
|---|---|
| Molecular Weight | 413.01 g/mol |
| LogP | 3.33 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.01154 |
| Heavy Atoms | 19 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 37018-52-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NCCSC(=N)N.Br.Br |
| InChIKey | KBPKLGXJWWCUPE-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide (CAS 37018-52-3), with molecular formula C13H25Br2N3S and molecular weight 413.01 g/mol. IUPAC: 2-(1-adamantylamino)ethyl carbamimidothioate;dihydrobromide.
Chemical Property Profile of Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide
Property Insights of Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide
The XLogP value of 3.33 indicates that Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide. Following Lipinski's Rule of Five, Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide has 5 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 Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide?
The CAS number of Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide is 37018-52-3.
What is the molecular formula of Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide?
The molecular formula of Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide is C13H25Br2N3S.
What is the molecular weight of Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide?
The molecular weight of Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide is 413.01 g/mol.
Where can I buy Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide?
You can request a quote for Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.