1-Butoxybenzotriazole
TL;DR: 1-Butoxybenzotriazole (CAS 60454-99-1) is a chemical compound with molecular formula C10H13N3O and molecular weight 191.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butoxybenzotriazole
Also Known As: 1-butoxybenzotriazole, 1-Butoxy-1H-1,2,3-benzotriazole
| Molecular Formula | C10H13N3O |
|---|---|
| Molecular Weight | 191.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.10587 |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 60454-99-1 |
|---|---|
| SMILES | CCCCON1C2=CC=CC=C2N=N1 |
| InChIKey | KRZGXODBKDWXNU-UHFFFAOYSA-N |
Product Overview
1-Butoxybenzotriazole (CAS 60454-99-1), with molecular formula C10H13N3O and molecular weight 191.11 g/mol. IUPAC: 1-butoxybenzotriazole.
Chemical Property Profile of 1-Butoxybenzotriazole
Property Insights of 1-Butoxybenzotriazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butoxybenzotriazole. With a topological polar surface area (TPSA) of 39.9 Ų, 1-Butoxybenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butoxybenzotriazole has 0 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 1-Butoxybenzotriazole?
The CAS number of 1-Butoxybenzotriazole is 60454-99-1.
What is the molecular formula of 1-Butoxybenzotriazole?
The molecular formula of 1-Butoxybenzotriazole is C10H13N3O.
What is the molecular weight of 1-Butoxybenzotriazole?
The molecular weight of 1-Butoxybenzotriazole is 191.11 g/mol.
Where can I buy 1-Butoxybenzotriazole?
You can request a quote for 1-Butoxybenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butoxybenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Butoxybenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.