Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone
TL;DR: Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone (CAS 722469-17-2) is a chemical compound with molecular formula C14H18N4O and molecular weight 258.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(1-methylbenzotriazol-5-yl)methanone
Also Known As: BAS 07212067, azepan-1-yl-(1-methylbenzotriazol-5-yl)methanone, AH-487/42307243, azaperhydroepinyl 1-methylbenzotriazol-5-yl ketone, Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone
| Molecular Formula | C14H18N4O |
|---|---|
| Molecular Weight | 258.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.14807 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 722469-17-2 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(=O)N3CCCCCC3)N=N1 |
| InChIKey | USBGULJSJGEEOA-UHFFFAOYSA-N |
Product Overview
Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone (CAS 722469-17-2), with molecular formula C14H18N4O and molecular weight 258.15 g/mol. IUPAC: azepan-1-yl-(1-methylbenzotriazol-5-yl)methanone.
Chemical Property Profile of Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone
Property Insights of Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone. With a topological polar surface area (TPSA) of 51.0 Ų, Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone 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 Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone?
The CAS number of Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone is 722469-17-2.
What is the molecular formula of Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone?
The molecular formula of Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone is C14H18N4O.
What is the molecular weight of Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone?
The molecular weight of Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone is 258.15 g/mol.
Where can I buy Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone?
You can request a quote for Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-yl-(1-methyl-1H-benzotriazol-5-yl)-methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.