1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one
TL;DR: 1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one (CAS 548789-57-7) is a chemical compound with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzotriazol-1-yl)-4-phenoxybutan-1-one
Also Known As: 1-benzotriazolyl-4-phenoxybutan-1-one, 1-(benzotriazol-1-yl)-4-phenoxybutan-1-one, 1-(1H-benzotriazol-1-yl)-4-phenoxybutan-1-one, Cambridge id 6838061
| Molecular Formula | C16H15N3O2 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 2.9307 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.11642 |
| Heavy Atoms | 21 |
| Complexity | 737.3766 |
Chemical Identifiers
| CAS Number | 548789-57-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCC(=O)N2C3=CC=CC=C3N=N2 |
Product Overview
1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one (CAS 548789-57-7), with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol. IUPAC: 1-(benzotriazol-1-yl)-4-phenoxybutan-1-one.
Chemical Property Profile of 1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one
Property Insights of 1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one
The XLogP value of 2.9307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one. With a topological polar surface area (TPSA) of 57.01 Ų, 1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one has 0 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-(Benzotriazol-1-yl)-4-phenoxybutan-1-one?
The CAS number of 1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one is 548789-57-7.
What is the molecular formula of 1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one?
The molecular formula of 1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one is C16H15N3O2.
What is the molecular weight of 1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one?
The molecular weight of 1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one is 281.12 g/mol.
Where can I buy 1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one?
You can request a quote for 1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzotriazol-1-yl)-4-phenoxybutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.