![N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide structure](/static/products/899/899745-66-5.png)
N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
TL;DR: N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CAS 899745-66-5) is a chemical compound with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: VU0496629-1, F2758-0127, N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide, N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]-4-(pyrrolidine-1-sulfonyl)benzamide
| Molecular Formula | C20H20N4O4S |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 1.6376 |
| Topological Polar Surface Area | 112.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.1205 |
| Heavy Atoms | 29 |
| Complexity | 1213.2098 |
Chemical Identifiers
| CAS Number | 899745-66-5 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=O)C4=CC=CC=C43 |
Product Overview
N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CAS 899745-66-5), with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol. IUPAC: N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Property Insights of N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
The XLogP value of 1.6376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide. The TPSA of 112.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide. Following Lipinski's Rule of Five, N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide 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 N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The CAS number of N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide is 899745-66-5.
What is the molecular formula of N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The molecular formula of N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide is C20H20N4O4S.
What is the molecular weight of N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The molecular weight of N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide is 412.12 g/mol.
Where can I buy N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
You can request a quote for N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.