1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea
TL;DR: 1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea (CAS 97310-12-8) is a chemical compound with molecular formula C17H23N3S and molecular weight 301.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-3-(pyridin-3-ylmethyl)thiourea
Also Known As: 1-(1-adamantyl)-3-(pyridin-3-ylmethyl)thiourea, BIM-0041286.P001, 1-((3s,5s,7s)-adamantan-1-yl)-3-(pyridin-3-ylmethyl)thiourea, 1-(pyridin-3-ylmethyl)-3-tricyclo[3.3.1.1~3,7~]dec-1-ylthiourea
| Molecular Formula | C17H23N3S |
|---|---|
| Molecular Weight | 301.16 g/mol |
| LogP | 3.0145 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.16125 |
| Heavy Atoms | 21 |
| Complexity | 492.81235 |
Chemical Identifiers
| CAS Number | 97310-12-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=CN=CC=C4 |
Product Overview
1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea (CAS 97310-12-8), with molecular formula C17H23N3S and molecular weight 301.16 g/mol. IUPAC: 1-(1-adamantyl)-3-(pyridin-3-ylmethyl)thiourea.
Chemical Property Profile of 1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea
Property Insights of 1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea
The XLogP value of 3.0145 indicates that 1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.95 Ų, 1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)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-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea?
The CAS number of 1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea is 97310-12-8.
What is the molecular formula of 1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea?
The molecular formula of 1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea is C17H23N3S.
What is the molecular weight of 1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea?
The molecular weight of 1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea is 301.16 g/mol.
Where can I buy 1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea?
You can request a quote for 1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Adamantyl)-3-(pyridin-3-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.