3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide
TL;DR: 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide (CAS 540517-55-3) is a chemical compound with molecular formula C18H19N3O4S and molecular weight 373.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide
Also Known As: AO-080/42479743, 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide, 3-oxo-N-[3-(1-pyrrolidinyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide, 3-oxo-N-[3-(pyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
| Molecular Formula | C18H19N3O4S |
|---|---|
| Molecular Weight | 373.11 g/mol |
| LogP | 2.4185 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.10962 |
| Heavy Atoms | 26 |
| Complexity | 952.6586 |
Chemical Identifiers
| CAS Number | 540517-55-3 |
|---|---|
| SMILES | C1CCN(C1)C2=CC=CC(=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4 |
Product Overview
3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide (CAS 540517-55-3), with molecular formula C18H19N3O4S and molecular weight 373.11 g/mol. IUPAC: 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide.
Chemical Property Profile of 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide
Property Insights of 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide
The XLogP value of 2.4185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide. Following Lipinski's Rule of Five, 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide has 2 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 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide?
The CAS number of 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide is 540517-55-3.
What is the molecular formula of 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide?
The molecular formula of 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide is C18H19N3O4S.
What is the molecular weight of 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide?
The molecular weight of 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide is 373.11 g/mol.
Where can I buy 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide?
You can request a quote for 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-oxo-N-(3-pyrrolidin-1-ylphenyl)-4H-1,4-benzoxazine-6-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.