1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea
TL;DR: 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea (CAS 147227-60-9) is a chemical compound with molecular formula C17H18N8O and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(benzotriazol-1-ylmethyl)-1,3-dimethylurea
Also Known As: 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea, 1,3-bis(benzotriazol-1-ylmethyl)-1,3-dimethyl-urea, 1,3-bis(benzotriazol-1-ylmethyl)-1,3-dimethylurea, 1,3-Dimethyl-1,3-bis[(1H-benzotriazol-1-yl)methyl]urea, 1,3-bis[(1H-1,2,3-benzotriazol-1-yl)methyl]-1,3-dimethylurea
| Molecular Formula | C17H18N8O |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 1.7748 |
| Topological Polar Surface Area | 84.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.16037 |
| Heavy Atoms | 26 |
| Complexity | 984.70447 |
Chemical Identifiers
| CAS Number | 147227-60-9 |
|---|---|
| SMILES | CN(CN1C2=CC=CC=C2N=N1)C(=O)N(C)CN3C4=CC=CC=C4N=N3 |
Product Overview
1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea (CAS 147227-60-9), with molecular formula C17H18N8O and molecular weight 350.16 g/mol. IUPAC: 1,3-bis(benzotriazol-1-ylmethyl)-1,3-dimethylurea.
Chemical Property Profile of 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea
Property Insights of 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea
The XLogP value of 1.7748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea. The TPSA of 84.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea. Following Lipinski's Rule of Five, 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea has 0 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 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea?
The CAS number of 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea is 147227-60-9.
What is the molecular formula of 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea?
The molecular formula of 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea is C17H18N8O.
What is the molecular weight of 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea?
The molecular weight of 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea is 350.16 g/mol.
Where can I buy 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea?
You can request a quote for 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-dimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.