![3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid structure](/static/products/851/851210-54-3.png)
3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
TL;DR: 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid (CAS 851210-54-3) is a chemical compound with molecular formula C23H24N4O6S and molecular weight 484.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
Also Known As: 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid, 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoylmethyl]-4-oxo-phthalazine-1-carboxylic Acid, 3-{2-[3-(Azepane-1-sulfonyl)anilino]-2-oxoethyl}-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
| Molecular Formula | C23H24N4O6S |
|---|---|
| Molecular Weight | 484.14 g/mol |
| LogP | 2.2981 |
| Topological Polar Surface Area | 138.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.14166 |
| Heavy Atoms | 34 |
| Complexity | 1408.4727 |
Chemical Identifiers
| CAS Number | 851210-54-3 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O |
Product Overview
3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid (CAS 851210-54-3), with molecular formula C23H24N4O6S and molecular weight 484.14 g/mol. IUPAC: 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid.
Chemical Property Profile of 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
Property Insights of 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
The XLogP value of 2.2981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid. The TPSA of 138.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid. Following Lipinski's Rule of Five, 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid has 2 hydrogen bond donor(s) and 6 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-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid?
The CAS number of 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid is 851210-54-3.
What is the molecular formula of 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid?
The molecular formula of 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid is C23H24N4O6S.
What is the molecular weight of 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid?
The molecular weight of 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid is 484.14 g/mol.
Where can I buy 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid?
You can request a quote for 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.