1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea
TL;DR: 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea (CAS 487007-02-3) is a chemical compound with molecular formula C17H31N3S and molecular weight 309.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-3-[2-(diethylamino)ethyl]thiourea
Also Known As: 1-(1-adamantyl)-3-(2-diethylaminoethyl)thiourea, AB00049141-01, 1-((3s,5s,7s)-adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea
| Molecular Formula | C17H31N3S |
|---|---|
| Molecular Weight | 309.22 g/mol |
| LogP | 2.7611 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.22388 |
| Heavy Atoms | 21 |
| Complexity | 342.9473 |
Chemical Identifiers
| CAS Number | 487007-02-3 |
|---|---|
| SMILES | CCN(CC)CCNC(=S)NC12CC3CC(C1)CC(C3)C2 |
Product Overview
1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea (CAS 487007-02-3), with molecular formula C17H31N3S and molecular weight 309.22 g/mol. IUPAC: 1-(1-adamantyl)-3-[2-(diethylamino)ethyl]thiourea.
Chemical Property Profile of 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea
Property Insights of 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea
The XLogP value of 2.7611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea. With a topological polar surface area (TPSA) of 27.3 Ų, 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea has 2 hydrogen bond donor(s) and 2 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 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea?
The CAS number of 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea is 487007-02-3.
What is the molecular formula of 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea?
The molecular formula of 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea is C17H31N3S.
What is the molecular weight of 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea?
The molecular weight of 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea is 309.22 g/mol.
Where can I buy 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea?
You can request a quote for 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-((3s,5s,7s)-Adamantan-1-yl)-3-(2-(diethylamino)ethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.