2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)- (CAS 21787-45-1) is a chemical compound with molecular formula C19H20N2O2 and molecular weight 308.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-benzylpyrrolidin-3-yl)-1,4-benzoxazin-3-one
Also Known As: 4-(1-Benzyl-3-pyrrolidinyl)-2H-1,4-benzoxazin-3(4H)-one, 4-(1-benzylpyrrolidin-3-yl)-1,4-benzoxazin-3-one, 2H-1,4-BENZOXAZIN-3(4H)-ONE, 4-(1-BENZYL-3-PYRROLIDINYL)-, 4-(1-benzylpyrrolidin-3-yl)-2H-1,4-benzoxazin-3(4H)-one, RefChem:1065103
| Molecular Formula | C19H20N2O2 |
|---|---|
| Molecular Weight | 308.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.15247 |
| Heavy Atoms | 23 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 21787-45-1 |
|---|---|
| SMILES | C1CN(CC1N2C(=O)COC3=CC=CC=C32)CC4=CC=CC=C4 |
| InChIKey | YSVLRHDPAPVJTE-UHFFFAOYSA-N |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)- (CAS 21787-45-1), with molecular formula C19H20N2O2 and molecular weight 308.15 g/mol. IUPAC: 4-(1-benzylpyrrolidin-3-yl)-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)-. With a topological polar surface area (TPSA) of 32.8 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)- 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 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)- is 21787-45-1.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)- is C19H20N2O2.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)- is 308.15 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 4-(1-benzyl-3-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.