5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol
TL;DR: 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol (CAS 671794-35-7) is a chemical compound with molecular formula C9H7BrN2O2 and molecular weight 253.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromo-4-methylphenyl)-3H-1,3,4-oxadiazol-2-one
Also Known As: 5-(3-bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol, 5-(3-bromo-4-methylphenyl)-3H-1,3,4-oxadiazol-2-one, AN-329/43248810, 5-(3-bromo-4-methylphenyl)-1,3,4-oxadiazol-2(3H)-one
| Molecular Formula | C9H7BrN2O2 |
|---|---|
| Molecular Weight | 253.97 g/mol |
| LogP | 2.10082 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.96909 |
| Heavy Atoms | 14 |
| Complexity | 515.52563 |
Chemical Identifiers
| CAS Number | 671794-35-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NNC(=O)O2)Br |
Product Overview
5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol (CAS 671794-35-7), with molecular formula C9H7BrN2O2 and molecular weight 253.97 g/mol. IUPAC: 5-(3-bromo-4-methylphenyl)-3H-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol
Property Insights of 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol
The XLogP value of 2.10082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol. With a topological polar surface area (TPSA) of 58.89 Ų, 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol 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 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol?
The CAS number of 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol is 671794-35-7.
What is the molecular formula of 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol?
The molecular formula of 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol is C9H7BrN2O2.
What is the molecular weight of 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol?
The molecular weight of 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol is 253.97 g/mol.
Where can I buy 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol?
You can request a quote for 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Bromo-4-methylphenyl)-1,3,4-oxadiazol-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.