2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide
TL;DR: 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide (CAS 587840-97-9) is a chemical compound with molecular formula C20H24N4O and molecular weight 336.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide
Also Known As: 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide, 2-benzotriazol-1-yl-N-(4-methylphenyl)heptanamide, 2-(benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide
| Molecular Formula | C20H24N4O |
|---|---|
| Molecular Weight | 336.19 g/mol |
| LogP | 4.49982 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.195 |
| Heavy Atoms | 25 |
| Complexity | 838.28326 |
Chemical Identifiers
| CAS Number | 587840-97-9 |
|---|---|
| SMILES | CCCCCC(C(=O)NC1=CC=C(C=C1)C)N2C3=CC=CC=C3N=N2 |
Product Overview
2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide (CAS 587840-97-9), with molecular formula C20H24N4O and molecular weight 336.19 g/mol. IUPAC: 2-(benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide.
Chemical Property Profile of 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide
Property Insights of 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide
The XLogP value of 4.49982 indicates that 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide has 1 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 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide?
The CAS number of 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide is 587840-97-9.
What is the molecular formula of 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide?
The molecular formula of 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide is C20H24N4O.
What is the molecular weight of 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide?
The molecular weight of 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide is 336.19 g/mol.
Where can I buy 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide?
You can request a quote for 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,3-Benzotriazol-1-yl)-N-(4-methylphenyl)heptanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.