AB00685455-01
TL;DR: AB00685455-01 (CAS 457950-91-3) is a chemical compound with molecular formula C20H18N4O3 and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: AB00685455-01, benzyl 7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, F1038-0520, benzyl 7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, benzyl 7-(4-hydroxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
| Molecular Formula | C20H18N4O3 |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 3.016 |
| Topological Polar Surface Area | 89.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.13788 |
| Heavy Atoms | 27 |
| Complexity | 993.581 |
Chemical Identifiers
| CAS Number | 457950-91-3 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC=N2)N1)C3=CC=C(C=C3)O)C(=O)OCC4=CC=CC=C4 |
Product Overview
AB00685455-01 (CAS 457950-91-3), with molecular formula C20H18N4O3 and molecular weight 362.14 g/mol. IUPAC: benzyl 7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AB00685455-01
Property Insights of AB00685455-01
The XLogP value of 3.016 indicates that AB00685455-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685455-01. Following Lipinski's Rule of Five, AB00685455-01 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 AB00685455-01?
The CAS number of AB00685455-01 is 457950-91-3.
What is the molecular formula of AB00685455-01?
The molecular formula of AB00685455-01 is C20H18N4O3.
What is the molecular weight of AB00685455-01?
The molecular weight of AB00685455-01 is 362.14 g/mol.
Where can I buy AB00685455-01?
You can request a quote for AB00685455-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685455-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685455-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.