![1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea structure](/static/products/4296/429652-29-9.webp)
1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea
TL;DR: 1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea (CAS 429652-29-9) is a chemical compound with molecular formula C15H21N5OS and molecular weight 319.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)thiourea
Also Known As: 1-(2-methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea, 1-(1,3,5-triazaadamantan-7-yl)-3-(2-methoxyphenyl)thiourea, N-(2-methoxyphenyl)-N'-1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylthiourea
| Molecular Formula | C15H21N5OS |
|---|---|
| Molecular Weight | 319.15 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.14667 |
| Heavy Atoms | 22 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 429652-29-9 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=S)NC23CN4CN(C2)CN(C3)C4 |
| InChIKey | XFMKOOBWYMYMTB-UHFFFAOYSA-N |
Product Overview
1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea (CAS 429652-29-9), with molecular formula C15H21N5OS and molecular weight 319.15 g/mol. IUPAC: 1-(2-methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)thiourea.
Chemical Property Profile of 1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea
Property Insights of 1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea. Following Lipinski's Rule of Five, 1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea has 2 hydrogen bond donor(s) and 5 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-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea?
The CAS number of 1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea is 429652-29-9.
What is the molecular formula of 1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea?
The molecular formula of 1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea is C15H21N5OS.
What is the molecular weight of 1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea?
The molecular weight of 1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea is 319.15 g/mol.
Where can I buy 1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea?
You can request a quote for 1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methoxyphenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.