1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one
TL;DR: 1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one (CAS 331672-95-8) is a chemical compound with molecular formula C13H17N3O and molecular weight 231.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzotriazol-1-yl)heptan-1-one
Also Known As: starbld0023277, 1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one, 1-benzotriazolylheptan-1-one, 1-Heptanoyl-1H-benzotriazole, 1-(benzotriazol-1-yl)heptan-1-one
| Molecular Formula | C13H17N3O |
|---|---|
| Molecular Weight | 231.14 g/mol |
| LogP | 3.0419 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.13716 |
| Heavy Atoms | 17 |
| Complexity | 504.0888 |
Chemical Identifiers
| CAS Number | 331672-95-8 |
|---|---|
| SMILES | CCCCCCC(=O)N1C2=CC=CC=C2N=N1 |
Product Overview
1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one (CAS 331672-95-8), with molecular formula C13H17N3O and molecular weight 231.14 g/mol. IUPAC: 1-(benzotriazol-1-yl)heptan-1-one.
Chemical Property Profile of 1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one
Property Insights of 1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one
The XLogP value of 3.0419 indicates that 1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one 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-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one?
The CAS number of 1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one is 331672-95-8.
What is the molecular formula of 1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one?
The molecular formula of 1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one is C13H17N3O.
What is the molecular weight of 1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one?
The molecular weight of 1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one is 231.14 g/mol.
Where can I buy 1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one?
You can request a quote for 1-(1H-1,2,3-benzotriazol-1-yl)heptan-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-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-1,2,3-benzotriazol-1-yl)heptan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.