1-(Benzotriazol-1-yl)-2-methylpropan-1-ol
TL;DR: 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol (CAS 111507-81-4) is a chemical compound with molecular formula C10H13N3O and molecular weight 191.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(benzotriazol-1-yl)-2-methylpropan-1-ol
Also Known As: 1-benzotriazol-1-yl-2-methyl-propan-1-ol, alpha-isopropyl-1h-benzotriazole-1-methanol, 1-(benzotriazol-1-yl)-2-methylpropan-1-ol, 1-(1H-1,2,3-benzotriazol-1-yl)-2-methylpropan-1-ol, 1-(1H-benzo[d][1,2,3]triazol-1-yl)-2-methylpropan-1-ol
Technical Specifications
| Molecular Formula | C10H13N3O |
| Molecular Weight | 191.10587 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.10587 Da |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
| SMILES | CC(C)C(N1C2=CC=CC=C2N=N1)O |
| InChIKey | MQNYIIXPLMSESE-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol
Property Insights of 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol. With a topological polar surface area (TPSA) of 50.9 Ų, 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol 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
What is the CAS number of 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol?
The CAS number of 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol is 111507-81-4.
What is the molecular formula of 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol?
The molecular formula of 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol is C10H13N3O.
What is the molecular weight of 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol?
The molecular weight of 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol is 191.10587 g/mol.
Where can I buy 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol?
You can request a quote for 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol?
Yes, CoreyChem provides custom synthesis services for 1-(Benzotriazol-1-yl)-2-methylpropan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.