Bestmann-Ohira试剂
TL;DR: Bestmann-Ohira试剂 (CAS 90965-06-3) is a chemical compound with molecular formula C4H5BrN2O and molecular weight 175.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Bestmann-Ohira试剂
(3-bromo-1,2-oxazol-5-yl)methanamine
Also Known As: 3-Bromo-5-aminomethylisoxazole, (3-BROMOISOXAZOL-5-YL)METHANAMINE, (3-bromo-1,2-oxazol-5-yl)methanamine, 5-Isoxazolemethanamine, 3-bromo-, (3-bromoisoxazol-5-yl)methylamine
| Molecular Formula | C4H5BrN2O |
|---|---|
| Molecular Weight | 175.96 g/mol |
| LogP | 0.8958 |
| Topological Polar Surface Area | 52.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.95853 |
| Heavy Atoms | 8 |
| Complexity | 174.30116 |
Chemical Identifiers
| CAS Number | 90965-06-3 |
|---|---|
| SMILES | C1=C(ON=C1Br)CN |
Product Overview
Bestmann-Ohira试剂 (CAS 90965-06-3), with molecular formula C4H5BrN2O and molecular weight 175.96 g/mol. IUPAC: (3-bromo-1,2-oxazol-5-yl)methanamine.
Chemical Property Profile of Bestmann-Ohira试剂
Property Insights of Bestmann-Ohira试剂
The XLogP value of 0.8958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bestmann-Ohira试剂. With a topological polar surface area (TPSA) of 52.05 Ų, Bestmann-Ohira试剂 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bestmann-Ohira试剂 has 1 hydrogen bond donor(s) and 3 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 Bestmann-Ohira试剂?
The CAS number of Bestmann-Ohira试剂 is 90965-06-3.
What is the molecular formula of Bestmann-Ohira试剂?
The molecular formula of Bestmann-Ohira试剂 is C4H5BrN2O.
What is the molecular weight of Bestmann-Ohira试剂?
The molecular weight of Bestmann-Ohira试剂 is 175.96 g/mol.
Where can I buy Bestmann-Ohira试剂?
You can request a quote for Bestmann-Ohira试剂 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bestmann-Ohira试剂?
Yes, KEHONG BIO provides custom synthesis services for Bestmann-Ohira试剂 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.