Benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone
TL;DR: Benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone (CAS 438471-37-5) is a chemical compound with molecular formula C12H9N3OS and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone
Also Known As: benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone, benzotriazolyl 5-methyl(3-thienyl) ketone, 1H-benzotriazol-1-yl(5-methylthiophen-3-yl)methanone, 1-[(5-methyl-3-thienyl)carbonyl]-1H-1,2,3-benzotriazole
| Molecular Formula | C12H9N3OS |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 2.48972 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.04663 |
| Heavy Atoms | 17 |
| Complexity | 698.41907 |
Chemical Identifiers
| CAS Number | 438471-37-5 |
|---|---|
| SMILES | CC1=CC(=CS1)C(=O)N2C3=CC=CC=C3N=N2 |
Product Overview
Benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone (CAS 438471-37-5), with molecular formula C12H9N3OS and molecular weight 243.05 g/mol. IUPAC: benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone.
Chemical Property Profile of Benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone
Property Insights of Benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone
The XLogP value of 2.48972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone. With a topological polar surface area (TPSA) of 47.78 Ų, Benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzotriazol-1-yl-(5-methylthiophen-3-yl)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-(5-methylthiophen-3-yl)methanone?
The CAS number of Benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone is 438471-37-5.
What is the molecular formula of Benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone?
The molecular formula of Benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone is C12H9N3OS.
What is the molecular weight of Benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone?
The molecular weight of Benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone is 243.05 g/mol.
Where can I buy Benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone?
You can request a quote for Benzotriazol-1-yl-(5-methylthiophen-3-yl)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-(5-methylthiophen-3-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazol-1-yl-(5-methylthiophen-3-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.