1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one
TL;DR: 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one (CAS 147227-55-2) is a chemical compound with molecular formula C11H12N4O and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzotriazol-1-ylmethyl)pyrrolidin-2-one
Also Known As: starbld0020092, 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one, 1-(benzotriazol-1-ylmethyl)pyrrolidin-2-one, 1-[(1H-1,2,3-benzotriazol-1-yl)methyl]pyrrolidin-2-one, 1-[(1H-Benzotriazol-1-yl)methyl]pyrrolidin-2-one
| Molecular Formula | C11H12N4O |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 1.0112 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.1011 |
| Heavy Atoms | 16 |
| Complexity | 533.51904 |
Chemical Identifiers
| CAS Number | 147227-55-2 |
|---|---|
| SMILES | C1CC(=O)N(C1)CN2C3=CC=CC=C3N=N2 |
Product Overview
1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one (CAS 147227-55-2), with molecular formula C11H12N4O and molecular weight 216.10 g/mol. IUPAC: 1-(benzotriazol-1-ylmethyl)pyrrolidin-2-one.
Chemical Property Profile of 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one
Property Insights of 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one
The XLogP value of 1.0112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one. With a topological polar surface area (TPSA) of 51.02 Ų, 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-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-ylmethyl)pyrrolidin-2-one?
The CAS number of 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one is 147227-55-2.
What is the molecular formula of 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one?
The molecular formula of 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one is C11H12N4O.
What is the molecular weight of 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one?
The molecular weight of 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one is 216.10 g/mol.
Where can I buy 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one?
You can request a quote for 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)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 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.