AF-399/40827948
TL;DR: AF-399/40827948 (CAS 457951-22-3) is a chemical compound with molecular formula C20H19N5O3 and molecular weight 377.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: AF-399/40827948, benzyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetraazolo[1,5-a]pyrimidine-6-carboxylate, benzyl 7-(4-methoxyphenyl)-5-methyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate, benzyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
| Molecular Formula | C20H19N5O3 |
|---|---|
| Molecular Weight | 377.15 g/mol |
| LogP | 2.714 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.1488 |
| Heavy Atoms | 28 |
| Complexity | 1011.83514 |
Chemical Identifiers
| CAS Number | 457951-22-3 |
|---|---|
| SMILES | CC1=C(C(N2C(=NN=N2)N1)C3=CC=C(C=C3)OC)C(=O)OCC4=CC=CC=C4 |
Product Overview
AF-399/40827948 (CAS 457951-22-3), with molecular formula C20H19N5O3 and molecular weight 377.15 g/mol. IUPAC: benzyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AF-399/40827948
Property Insights of AF-399/40827948
The XLogP value of 2.714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/40827948. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40827948. Following Lipinski's Rule of Five, AF-399/40827948 has 1 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 AF-399/40827948?
The CAS number of AF-399/40827948 is 457951-22-3.
What is the molecular formula of AF-399/40827948?
The molecular formula of AF-399/40827948 is C20H19N5O3.
What is the molecular weight of AF-399/40827948?
The molecular weight of AF-399/40827948 is 377.15 g/mol.
Where can I buy AF-399/40827948?
You can request a quote for AF-399/40827948 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40827948?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40827948 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.