Benzoxazole, 2-(5-pyrimidinyl)-
TL;DR: Benzoxazole, 2-(5-pyrimidinyl)- (CAS 39116-33-1) is a chemical compound with molecular formula C11H7N3O and molecular weight 197.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrimidin-5-yl-1,3-benzoxazole
Also Known As: 2-pyrimidin-5-ylbenzoxazole, 2-(5-Pyrimidinyl)benzoxazole, benzoxazole, 2-(5-pyrimidinyl)-, 2-(pyrimidin-5-yl)benzo[d]oxazole, 2-pyrimidin-5-yl-1,3-benzoxazole
| Molecular Formula | C11H7N3O |
|---|---|
| Molecular Weight | 197.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.05891 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 39116-33-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CN=CN=C3 |
| InChIKey | AUNVWPWAYXUTDA-UHFFFAOYSA-N |
Product Overview
Benzoxazole, 2-(5-pyrimidinyl)- (CAS 39116-33-1), with molecular formula C11H7N3O and molecular weight 197.06 g/mol. IUPAC: 2-pyrimidin-5-yl-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 2-(5-pyrimidinyl)-
Property Insights of Benzoxazole, 2-(5-pyrimidinyl)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoxazole, 2-(5-pyrimidinyl)-. With a topological polar surface area (TPSA) of 51.8 Ų, Benzoxazole, 2-(5-pyrimidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 2-(5-pyrimidinyl)- has 0 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 Benzoxazole, 2-(5-pyrimidinyl)-?
The CAS number of Benzoxazole, 2-(5-pyrimidinyl)- is 39116-33-1.
What is the molecular formula of Benzoxazole, 2-(5-pyrimidinyl)-?
The molecular formula of Benzoxazole, 2-(5-pyrimidinyl)- is C11H7N3O.
What is the molecular weight of Benzoxazole, 2-(5-pyrimidinyl)-?
The molecular weight of Benzoxazole, 2-(5-pyrimidinyl)- is 197.06 g/mol.
Where can I buy Benzoxazole, 2-(5-pyrimidinyl)-?
You can request a quote for Benzoxazole, 2-(5-pyrimidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 2-(5-pyrimidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 2-(5-pyrimidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.