![3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine structure](/static/products/900/900879-00-7.png)
3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
TL;DR: 3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine (CAS 900879-00-7) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(azepan-1-ylsulfonyl)furan-2-yl]-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
Also Known As: 3-(5-(azepan-1-ylsulfonyl)furan-2-yl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine, 3-[5-(azepan-1-ylsulfonyl)furan-2-yl]-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine, 3-[5-(azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 3.41062 |
| Topological Polar Surface Area | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 1300.4058 |
Chemical Identifiers
| CAS Number | 900879-00-7 |
|---|---|
| SMILES | CC1=NN2C(=NN=C2C3=CC=C(O3)S(=O)(=O)N4CCCCCC4)C5=CC=CC=C15 |
Product Overview
3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine (CAS 900879-00-7), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: 3-[5-(azepan-1-ylsulfonyl)furan-2-yl]-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine.
Chemical Property Profile of 3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
Property Insights of 3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
The XLogP value of 3.41062 indicates that 3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine. Following Lipinski's Rule of Five, 3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine has 0 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-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine?
The CAS number of 3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine is 900879-00-7.
What is the molecular formula of 3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine?
The molecular formula of 3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine is C20H21N5O3S.
What is the molecular weight of 3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine?
The molecular weight of 3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine is 411.14 g/mol.
Where can I buy 3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine?
You can request a quote for 3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(Azepan-1-ylsulfonyl)furan-2-yl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.