AP-906/42126884
TL;DR: AP-906/42126884 (CAS 691370-74-8) is a chemical compound with molecular formula C23H22ClN5O4 and molecular weight 467.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: AP-906/42126884, 7-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-2-(3-hydroxypropyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 7-(1,3-Benzodioxol-5-yl)-N-(4-chlorophenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 7-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C23H22ClN5O4 |
|---|---|
| Molecular Weight | 467.14 g/mol |
| LogP | 3.5127 |
| Topological Polar Surface Area | 110.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.13602 |
| Heavy Atoms | 33 |
| Complexity | 1238.1488 |
Chemical Identifiers
| CAS Number | 691370-74-8 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC(=N2)CCCO)N1)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)Cl |
Product Overview
AP-906/42126884 (CAS 691370-74-8), with molecular formula C23H22ClN5O4 and molecular weight 467.14 g/mol. IUPAC: 7-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of AP-906/42126884
Property Insights of AP-906/42126884
The XLogP value of 3.5127 indicates that AP-906/42126884 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-906/42126884. Following Lipinski's Rule of Five, AP-906/42126884 has 3 hydrogen bond donor(s) and 7 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 AP-906/42126884?
The CAS number of AP-906/42126884 is 691370-74-8.
What is the molecular formula of AP-906/42126884?
The molecular formula of AP-906/42126884 is C23H22ClN5O4.
What is the molecular weight of AP-906/42126884?
The molecular weight of AP-906/42126884 is 467.14 g/mol.
Where can I buy AP-906/42126884?
You can request a quote for AP-906/42126884 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-906/42126884?
Yes, KEHONG BIO provides custom synthesis services for AP-906/42126884 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.