1-Hexadecanoylbenzotriazole
TL;DR: 1-Hexadecanoylbenzotriazole (CAS 55889-33-3) is a chemical compound with molecular formula C22H35N3O and molecular weight 357.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzotriazol-1-yl)hexadecan-1-one
Also Known As: 1-hexadecanoylbenzotriazole, 1-Palmitoyl-1H-benzotriazole, 1-benzotriazol-1-ylhexadecan-1-one, 1-(benzotriazol-1-yl)hexadecan-1-one, 1-(1H-benzotriazol-1-yl)-1-hexadecanone
| Molecular Formula | C22H35N3O |
|---|---|
| Molecular Weight | 357.28 g/mol |
| LogP | 6.5528 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 357.278 |
| Heavy Atoms | 26 |
| Complexity | 635.104 |
Chemical Identifiers
| CAS Number | 55889-33-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)N1C2=CC=CC=C2N=N1 |
Product Overview
1-Hexadecanoylbenzotriazole (CAS 55889-33-3), with molecular formula C22H35N3O and molecular weight 357.28 g/mol. IUPAC: 1-(benzotriazol-1-yl)hexadecan-1-one.
Chemical Property Profile of 1-Hexadecanoylbenzotriazole
Property Insights of 1-Hexadecanoylbenzotriazole
The XLogP value of 6.5528 indicates that 1-Hexadecanoylbenzotriazole 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-Hexadecanoylbenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexadecanoylbenzotriazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Hexadecanoylbenzotriazole?
The CAS number of 1-Hexadecanoylbenzotriazole is 55889-33-3.
What is the molecular formula of 1-Hexadecanoylbenzotriazole?
The molecular formula of 1-Hexadecanoylbenzotriazole is C22H35N3O.
What is the molecular weight of 1-Hexadecanoylbenzotriazole?
The molecular weight of 1-Hexadecanoylbenzotriazole is 357.28 g/mol.
Where can I buy 1-Hexadecanoylbenzotriazole?
You can request a quote for 1-Hexadecanoylbenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexadecanoylbenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexadecanoylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.