4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
TL;DR: 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one (CAS 881785-76-8) is a chemical compound with molecular formula C18H16N4O3 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
Also Known As: 4-(benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one, 4-(benzotriazolylcarbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one, 4-(1H-benzotriazol-1-ylcarbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
| Molecular Formula | C18H16N4O3 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 2.1332 |
| Topological Polar Surface Area | 77.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.12225 |
| Heavy Atoms | 25 |
| Complexity | 948.3694 |
Chemical Identifiers
| CAS Number | 881785-76-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3C4=CC=CC=C4N=N3 |
Product Overview
4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one (CAS 881785-76-8), with molecular formula C18H16N4O3 and molecular weight 336.12 g/mol. IUPAC: 4-(benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one.
Chemical Property Profile of 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
Property Insights of 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
The XLogP value of 2.1332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one. The TPSA of 77.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one. Following Lipinski's Rule of Five, 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one has 0 hydrogen bond donor(s) and 5 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 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one?
The CAS number of 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one is 881785-76-8.
What is the molecular formula of 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one?
The molecular formula of 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one is C18H16N4O3.
What is the molecular weight of 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one?
The molecular weight of 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one is 336.12 g/mol.
Where can I buy 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one?
You can request a quote for 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzotriazole-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.