![3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine structure](/static/products/116/1164562-75-7.png)
3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine
TL;DR: 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine (CAS 1164562-75-7) is a chemical compound with molecular formula C14H15N5O and molecular weight 269.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dimethyl-2-phenyl-6-oxa-1,5,8,10,12-pentazatricyclo[7.3.0.03,7]dodeca-4,9,11-triene
Also Known As: 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine, 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydroisoxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C14H15N5O |
|---|---|
| Molecular Weight | 269.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.12766 |
| Heavy Atoms | 20 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 1164562-75-7 |
|---|---|
| SMILES | CC1=NOC2(C1C(N3C(=NC=N3)N2)C4=CC=CC=C4)C |
| InChIKey | PSWUECBRCBEJAZ-UHFFFAOYSA-N |
Product Overview
3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine (CAS 1164562-75-7), with molecular formula C14H15N5O and molecular weight 269.13 g/mol. IUPAC: 4,7-dimethyl-2-phenyl-6-oxa-1,5,8,10,12-pentazatricyclo[7.3.0.03,7]dodeca-4,9,11-triene.
Chemical Property Profile of 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine
Property Insights of 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine. Following Lipinski's Rule of Five, 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine has 1 hydrogen bond donor(s) and 5 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 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine?
The CAS number of 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine is 1164562-75-7.
What is the molecular formula of 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine?
The molecular formula of 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine is C14H15N5O.
What is the molecular weight of 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine?
The molecular weight of 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine is 269.13 g/mol.
Where can I buy 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine?
You can request a quote for 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3,9a-dimethyl-4-phenyl-3a,4,9,9a-tetrahydro[1,2]oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.