![1-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea structure](/static/products/660/6600-91-5.png)
1-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea
TL;DR: 1-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea (CAS 6600-91-5) is a chemical compound with molecular formula C14H18ClN5S and molecular weight 323.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-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-chlorophenyl)thiourea, 1-(3-chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea
| Molecular Formula | C14H18ClN5S |
|---|---|
| Molecular Weight | 323.10 g/mol |
| LogP | 1.1845 |
| Topological Polar Surface Area | 33.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.09714 |
| Heavy Atoms | 21 |
| Complexity | 542.9535 |
Chemical Identifiers
| CAS Number | 6600-91-5 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)NC(=S)NC4=CC(=CC=C4)Cl |
Product Overview
1-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea (CAS 6600-91-5), with molecular formula C14H18ClN5S and molecular weight 323.10 g/mol. IUPAC: 1-(3-chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)thiourea.
Chemical Property Profile of 1-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea
Property Insights of 1-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea
The XLogP value of 1.1845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea. With a topological polar surface area (TPSA) of 33.78 Ų, 1-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)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-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea?
The CAS number of 1-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea is 6600-91-5.
What is the molecular formula of 1-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea?
The molecular formula of 1-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea is C14H18ClN5S.
What is the molecular weight of 1-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea?
The molecular weight of 1-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea is 323.10 g/mol.
Where can I buy 1-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea?
You can request a quote for 1-(3-Chlorophenyl)-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-(3-Chlorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-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.