1-(1,3,5-Triazaadamantan-7-yl)-3-(2,4-dimethoxyphenyl)thiourea
TL;DR: 1-(1,3,5-Triazaadamantan-7-yl)-3-(2,4-dimethoxyphenyl)thiourea (CAS 892222-22-9) is a chemical compound with molecular formula C16H23N5O2S and molecular weight 349.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)thiourea, N-(2,4-dimethoxyphenyl)-N'-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea, N-(2,4-dimethoxyphenyl)-N'-1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylthiourea
| Molecular Formula | C16H23N5O2S |
|---|---|
| Molecular Weight | 349.16 g/mol |
| LogP | 0.5483 |
| Topological Polar Surface Area | 52.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.15726 |
| Heavy Atoms | 24 |
| Complexity | 618.07074 |
Chemical Identifiers
| CAS Number | 892222-22-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=S)NC23CN4CN(C2)CN(C3)C4)OC |
Product Overview
1-(1,3,5-Triazaadamantan-7-yl)-3-(2,4-dimethoxyphenyl)thiourea (CAS 892222-22-9), with molecular formula C16H23N5O2S and molecular weight 349.16 g/mol. IUPAC: 1-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)thiourea
Property Insights of 1-(1,3,5-Triazaadamantan-7-yl)-3-(2,4-dimethoxyphenyl)thiourea
The XLogP value of 0.5483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3,5-Triazaadamantan-7-yl)-3-(2,4-dimethoxyphenyl)thiourea. With a topological polar surface area (TPSA) of 52.24 Ų, 1-(1,3,5-Triazaadamantan-7-yl)-3-(2,4-dimethoxyphenyl)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-(2,4-dimethoxyphenyl)thiourea has 2 hydrogen bond donor(s) and 6 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-(2,4-dimethoxyphenyl)thiourea?
The CAS number of 1-(1,3,5-Triazaadamantan-7-yl)-3-(2,4-dimethoxyphenyl)thiourea is 892222-22-9.
What is the molecular formula of 1-(1,3,5-Triazaadamantan-7-yl)-3-(2,4-dimethoxyphenyl)thiourea?
The molecular formula of 1-(1,3,5-Triazaadamantan-7-yl)-3-(2,4-dimethoxyphenyl)thiourea is C16H23N5O2S.
What is the molecular weight of 1-(1,3,5-Triazaadamantan-7-yl)-3-(2,4-dimethoxyphenyl)thiourea?
The molecular weight of 1-(1,3,5-Triazaadamantan-7-yl)-3-(2,4-dimethoxyphenyl)thiourea is 349.16 g/mol.
Where can I buy 1-(1,3,5-Triazaadamantan-7-yl)-3-(2,4-dimethoxyphenyl)thiourea?
You can request a quote for 1-(1,3,5-Triazaadamantan-7-yl)-3-(2,4-dimethoxyphenyl)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-(2,4-dimethoxyphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3,5-Triazaadamantan-7-yl)-3-(2,4-dimethoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.