A3769/0159888
TL;DR: A3769/0159888 (CAS 727675-62-9) is a chemical compound with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
Also Known As: A3769/0159888, 3-methyl-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine, 3-methyl-6-[4-methyl-3-(pyrrolidin-1-ylsulfonyl)phenyl][1,2,4]triazolo[3,4-a]phthalazine, 3-methyl-6-(4-methyl-3-(pyrrolidin-1-ylsulfonyl)phenyl)-[1,2,4]triazolo[3,4-a]phthalazine
| Molecular Formula | C21H21N5O2S |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 3.34584 |
| Topological Polar Surface Area | 80.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.1416 |
| Heavy Atoms | 29 |
| Complexity | 1354.5222 |
Chemical Identifiers
| CAS Number | 727675-62-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C)S(=O)(=O)N5CCCC5 |
Product Overview
A3769/0159888 (CAS 727675-62-9), with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol. IUPAC: 3-methyl-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine.
Chemical Property Profile of A3769/0159888
Property Insights of A3769/0159888
The XLogP value of 3.34584 indicates that A3769/0159888 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.46 Ų falls within the moderate polarity range, balancing permeability and solubility for A3769/0159888. Following Lipinski's Rule of Five, A3769/0159888 has 0 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 A3769/0159888?
The CAS number of A3769/0159888 is 727675-62-9.
What is the molecular formula of A3769/0159888?
The molecular formula of A3769/0159888 is C21H21N5O2S.
What is the molecular weight of A3769/0159888?
The molecular weight of A3769/0159888 is 407.14 g/mol.
Where can I buy A3769/0159888?
You can request a quote for A3769/0159888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3769/0159888?
Yes, KEHONG BIO provides custom synthesis services for A3769/0159888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.