A3321/0141104
TL;DR: A3321/0141104 (CAS 695200-53-4) is a chemical compound with molecular formula C21H20N6O2S and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
Also Known As: A3321/0141104, 2-((4H-1,2,4-triazol-3-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide, N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide, N-[2-METHYL-5-(3-METHYL-4-OXO-3,4-DIHYDRO-1-PHTHALAZINYL)BENZYL]-2-(4H-1,2,4-TRIAZOL-3-YLSULFANYL)ACETAMIDE, N-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]-2-(4H-1,2,4-triazol-3-ylthio)acetamide
| Molecular Formula | C21H20N6O2S |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 2.43552 |
| Topological Polar Surface Area | 105.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.13684 |
| Heavy Atoms | 30 |
| Complexity | 1266.4733 |
Chemical Identifiers
| CAS Number | 695200-53-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)CSC4=NC=NN4 |
Product Overview
A3321/0141104 (CAS 695200-53-4), with molecular formula C21H20N6O2S and molecular weight 420.14 g/mol. IUPAC: N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
Chemical Property Profile of A3321/0141104
Property Insights of A3321/0141104
The XLogP value of 2.43552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3321/0141104. The TPSA of 105.56 Ų falls within the moderate polarity range, balancing permeability and solubility for A3321/0141104. Following Lipinski's Rule of Five, A3321/0141104 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 A3321/0141104?
The CAS number of A3321/0141104 is 695200-53-4.
What is the molecular formula of A3321/0141104?
The molecular formula of A3321/0141104 is C21H20N6O2S.
What is the molecular weight of A3321/0141104?
The molecular weight of A3321/0141104 is 420.14 g/mol.
Where can I buy A3321/0141104?
You can request a quote for A3321/0141104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3321/0141104?
Yes, KEHONG BIO provides custom synthesis services for A3321/0141104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.