1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea
TL;DR: 1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea (CAS 429652-83-5) is a chemical compound with molecular formula C14H17ClFN5S and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)thiourea
Also Known As: 1-(1,3,5-triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea, 1-(3-chloro-4-fluorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea
| Molecular Formula | C14H17ClFN5S |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 1.3236 |
| Topological Polar Surface Area | 33.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.0877 |
| Heavy Atoms | 22 |
| Complexity | 589.9666 |
Chemical Identifiers
| CAS Number | 429652-83-5 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)NC(=S)NC4=CC(=C(C=C4)F)Cl |
Product Overview
1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea (CAS 429652-83-5), with molecular formula C14H17ClFN5S and molecular weight 341.09 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)thiourea.
Chemical Property Profile of 1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea
Property Insights of 1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea
The XLogP value of 1.3236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea. With a topological polar surface area (TPSA) of 33.78 Ų, 1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea has 2 hydrogen bond donor(s) and 4 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-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea?
The CAS number of 1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea is 429652-83-5.
What is the molecular formula of 1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea?
The molecular formula of 1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea is C14H17ClFN5S.
What is the molecular weight of 1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea?
The molecular weight of 1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea is 341.09 g/mol.
Where can I buy 1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea?
You can request a quote for 1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3,5-Triazaadamantan-7-yl)-3-(3-chloro-4-fluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.