Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone
TL;DR: Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone (CAS 880591-37-7) 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.
benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone
Also Known As: Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone, 1-(4-isopropoxybenzoyl)-1H-1,2,3-benzotriazole, benzotriazolyl 4-(methylethoxy)phenyl ketone, AN-329/43385749, 1H-benzotriazol-1-yl[4-(propan-2-yloxy)phenyl]methanone
| Molecular Formula | C16H15N3O2 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 2.907 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.11642 |
| Heavy Atoms | 21 |
| Complexity | 775.57623 |
Chemical Identifiers
| CAS Number | 880591-37-7 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2 |
Product Overview
Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone (CAS 880591-37-7), with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol. IUPAC: benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone.
Chemical Property Profile of Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone
Property Insights of Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone
The XLogP value of 2.907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone. With a topological polar surface area (TPSA) of 57.01 Ų, Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone 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 Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone?
The CAS number of Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone is 880591-37-7.
What is the molecular formula of Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone?
The molecular formula of Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone is C16H15N3O2.
What is the molecular weight of Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone?
The molecular weight of Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone is 281.12 g/mol.
Where can I buy Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone?
You can request a quote for Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazol-1-yl-(4-propan-2-yloxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.