5-(3,4-Dichlorophenyl)-3-isoxazolemethanol
TL;DR: 5-(3,4-Dichlorophenyl)-3-isoxazolemethanol (CAS 338776-95-7) is a chemical compound with molecular formula C10H7Cl2NO2 and molecular weight 242.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol
Also Known As: [5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol|[5-(3,4-dichlorophenyl)-3-isoxazolyl]methanol|(5-(3,4-dichlorophenyl)isoxazol-3-yl)methanol|3-Isoxazolemethanol, 5-(3,4-dichlorophenyl)-|KS-000039Y4|5-(3,4-Dichlorophenyl)-3-isoxazolemethanol|[5-(3,4-dichlorophenyl)isoxazol-3-yl]methanol|RefChem:299593|MFCD01444075|MLS000764264|SMR000335092
| Molecular Formula | C10H7Cl2NO2 |
|---|---|
| Molecular Weight | 242.99 g/mol |
| LogP | 3.1407 |
| Topological Polar Surface Area | 46.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.98538 |
| Heavy Atoms | 15 |
| Complexity | 482.02466 |
Chemical Identifiers
| CAS Number | 338776-95-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CC(=NO2)CO)Cl)Cl |
Product Overview
5-(3,4-Dichlorophenyl)-3-isoxazolemethanol (CAS 338776-95-7), with molecular formula C10H7Cl2NO2 and molecular weight 242.99 g/mol. IUPAC: [5-(3,4-dichlorophenyl)-1,2-oxazol-3-yl]methanol.
Chemical Property Profile of 5-(3,4-Dichlorophenyl)-3-isoxazolemethanol
Property Insights of 5-(3,4-Dichlorophenyl)-3-isoxazolemethanol
The XLogP value of 3.1407 indicates that 5-(3,4-Dichlorophenyl)-3-isoxazolemethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.26 Ų, 5-(3,4-Dichlorophenyl)-3-isoxazolemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,4-Dichlorophenyl)-3-isoxazolemethanol 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-(3,4-Dichlorophenyl)-3-isoxazolemethanol?
The CAS number of 5-(3,4-Dichlorophenyl)-3-isoxazolemethanol is 338776-95-7.
What is the molecular formula of 5-(3,4-Dichlorophenyl)-3-isoxazolemethanol?
The molecular formula of 5-(3,4-Dichlorophenyl)-3-isoxazolemethanol is C10H7Cl2NO2.
What is the molecular weight of 5-(3,4-Dichlorophenyl)-3-isoxazolemethanol?
The molecular weight of 5-(3,4-Dichlorophenyl)-3-isoxazolemethanol is 242.99 g/mol.
Where can I buy 5-(3,4-Dichlorophenyl)-3-isoxazolemethanol?
You can request a quote for 5-(3,4-Dichlorophenyl)-3-isoxazolemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4-Dichlorophenyl)-3-isoxazolemethanol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-Dichlorophenyl)-3-isoxazolemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.