4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole
TL;DR: 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole (CAS 300679-69-0) is a chemical compound with molecular formula C13H18N4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-benzotriazole
Also Known As: starbld0032969, 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole, 5,7-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-benzotriazole, 1h-benzotriazole, 4,6-dimethyl-7-(1-pyrrolidinylmethyl)-, 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-benzo[d][1,2,3]triazole
| Molecular Formula | C13H18N4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.17054 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.15315 |
| Heavy Atoms | 17 |
| Complexity | 537.5882 |
Chemical Identifiers
| CAS Number | 300679-69-0 |
|---|---|
| SMILES | CC1=CC(=C(C2=NNN=C12)CN3CCCC3)C |
Product Overview
4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole (CAS 300679-69-0), with molecular formula C13H18N4 and molecular weight 230.15 g/mol. IUPAC: 5,7-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-benzotriazole.
Chemical Property Profile of 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole
Property Insights of 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole
The XLogP value of 2.17054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole. With a topological polar surface area (TPSA) of 44.81 Ų, 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole has 1 hydrogen bond donor(s) and 3 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 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole?
The CAS number of 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole is 300679-69-0.
What is the molecular formula of 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole?
The molecular formula of 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole is C13H18N4.
What is the molecular weight of 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole?
The molecular weight of 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole is 230.15 g/mol.
Where can I buy 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole?
You can request a quote for 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-7-(pyrrolidin-1-ylmethyl)-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.