AS-871/42126559
TL;DR: AS-871/42126559 (CAS 691397-57-6) is a chemical compound with molecular formula C21H20ClN5O and molecular weight 393.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-7-(4-ethylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: AS-871/42126559, C202-1614, N-(4-chlorophenyl)-7-(4-ethylphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, N-(4-Chlorophenyl)-7-(4-ethylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, N-(4-chlorophenyl)-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C21H20ClN5O |
|---|---|
| Molecular Weight | 393.14 g/mol |
| LogP | 4.4215 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.13565 |
| Heavy Atoms | 28 |
| Complexity | 1037.4177 |
Chemical Identifiers
| CAS Number | 691397-57-6 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2C(=C(NC3=NC=NN23)C)C(=O)NC4=CC=C(C=C4)Cl |
Product Overview
AS-871/42126559 (CAS 691397-57-6), with molecular formula C21H20ClN5O and molecular weight 393.14 g/mol. IUPAC: N-(4-chlorophenyl)-7-(4-ethylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of AS-871/42126559
Property Insights of AS-871/42126559
The XLogP value of 4.4215 indicates that AS-871/42126559 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42126559. Following Lipinski's Rule of Five, AS-871/42126559 has 2 hydrogen bond donor(s) and 4 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 AS-871/42126559?
The CAS number of AS-871/42126559 is 691397-57-6.
What is the molecular formula of AS-871/42126559?
The molecular formula of AS-871/42126559 is C21H20ClN5O.
What is the molecular weight of AS-871/42126559?
The molecular weight of AS-871/42126559 is 393.14 g/mol.
Where can I buy AS-871/42126559?
You can request a quote for AS-871/42126559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42126559?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42126559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.