5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride
TL;DR: 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride (CAS 98591-60-7) is a chemical compound with molecular formula C9H5ClN2O2 and molecular weight 208.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-1,3,4-oxadiazole-2-carbonyl chloride
Also Known As: 5-phenyl-1,3,4-oxadiazole-2-carbonyl chloride, 1,3,4-Oxadiazole-2-carbonylchloride, 5-phenyl-, 5-PHENYL-1,3,4-OXADIAZOLE-2-CARBONYLCHLORIDE, J3.391.722H, 2-(Chlorocarbonyl)-5-phenyl-1,3,4-oxadiazole
| Molecular Formula | C9H5ClN2O2 |
|---|---|
| Molecular Weight | 208.00 g/mol |
| LogP | 2.1156 |
| Topological Polar Surface Area | 55.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.00395 |
| Heavy Atoms | 14 |
| Complexity | 452.84534 |
Chemical Identifiers
| CAS Number | 98591-60-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(O2)C(=O)Cl |
Product Overview
5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride (CAS 98591-60-7), with molecular formula C9H5ClN2O2 and molecular weight 208.00 g/mol. IUPAC: 5-phenyl-1,3,4-oxadiazole-2-carbonyl chloride.
Chemical Property Profile of 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride
Property Insights of 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride
The XLogP value of 2.1156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride. With a topological polar surface area (TPSA) of 55.99 Ų, 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride 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 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride?
The CAS number of 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride is 98591-60-7.
What is the molecular formula of 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride?
The molecular formula of 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride is C9H5ClN2O2.
What is the molecular weight of 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride?
The molecular weight of 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride is 208.00 g/mol.
Where can I buy 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride?
You can request a quote for 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.